N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide

C26H31N3O4 — CID 134547531

IUPACN-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide
SMILESCC(=O)NCC(C)(C)C1Cc2cc(NC(=O)C3(C4=CC5=C(CC=C4)OCO5)CC3)ccc2N1
InChIInChI=1S/C26H31N3O4/c1-16(30)27-14-25(2,3)23-12-17-11-19(7-8-20(17)29-23)28-24(31)26(9-10-26)18-5-4-6-21-22(13-18)33-15-32-21/h4-5,7-8,11,13,23,29H,6,9-10,12,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyBCGZFLSDAFIJDH-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.01
Rot. Bonds6

About N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide

N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 134547531) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide
PubChem CID134547531
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide
SMILESCC(=O)NCC(C)(C)C1Cc2cc(NC(=O)C3(C4=CC5=C(CC=C4)OCO5)CC3)ccc2N1
InChIInChI=1S/C26H31N3O4/c1-16(30)27-14-25(2,3)23-12-17-11-19(7-8-20(17)29-23)28-24(31)26(9-10-26)18-5-4-6-21-22(13-18)33-15-32-21/h4-5,7-8,11,13,23,29H,6,9-10,12,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyBCGZFLSDAFIJDH-UHFFFAOYSA-N
XLogP4.01
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(3-methylidene-1-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 89071315
N-[2-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]-2-methylpropyl]carbamate
CID 159502021
N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide
CID 89329046
N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide
CID 121258460
tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate
CID 121258457
N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;bis(N-[1-(2-azidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide);bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide);bis(2-chloroacetaldehyde);methane;methoxymethane
CID 159999911
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 71164078
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CID 39215283
6-acetamido-N-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 53123420
bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide);bis(1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide);4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butyl-2,3-dihydroindol-1-yl]butanoic acid;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;methoxymethane;4-oxobutanoic acid
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2-acetamido-N-(2,3-dihydro-1H-indol-5-yl)acetamide
CID 63253037
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide (CID 134547531) is N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide is CC(=O)NCC(C)(C)C1Cc2cc(NC(=O)C3(C4=CC5=C(CC=C4)OCO5)CC3)ccc2N1.
What is the InChIKey of N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is BCGZFLSDAFIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-16(30)27-14-25(2,3)23-12-17-11-19(7-8-20(17)29-23)28-24(31)26(9-10-26)18-5-4-6-21-22(13-18)33-15-32-21/h4-5,7-8,11,13,23,29H,6,9-10,12,14-15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide?
N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(8H-cyclohepta[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134547531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).