N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C30H34N2O3 — CID 157159685

IUPACN-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1cc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)ccc1OCc1ccccc1.[H][H]
InChIInChI=1S/C30H32N2O3.H2/c1-29(2,3)27-17-21-16-23(11-12-24(21)32-27)31-28(33)30(14-15-30)22-10-13-25(26(18-22)34-4)35-19-20-8-6-5-7-9-20;/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);1H
InChIKeyAMFKBAKFPDTEAL-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.97
Rot. Bonds7

About N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157159685) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID157159685
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC NameN-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
SMILESCOc1cc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)ccc1OCc1ccccc1.[H][H]
InChIInChI=1S/C30H32N2O3.H2/c1-29(2,3)27-17-21-16-23(11-12-24(21)32-27)31-28(33)30(14-15-30)22-10-13-25(26(18-22)34-4)35-19-20-8-6-5-7-9-20;/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);1H
InChIKeyAMFKBAKFPDTEAL-UHFFFAOYSA-N
XLogP6.97
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

CID 143559101
CID 143559101
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 134547462
CID 143559102
CID 143559102
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 24762820
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
CID 142886363
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
N-(2-tert-butyl-1H-indol-5-yl)-4-hydroxy-3,5-dimethoxybenzamide
CID 142886342
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
ethyl 5-[[1-(3-hydroxy-4-methoxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 163883552
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946
1-(3,4-dimethoxyphenyl)-N-(1H-indazol-6-yl)cyclopropane-1-carboxamide
CID 110438991
1-(3,4-dimethoxyphenyl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclopropane-1-carboxamide
CID 90958377

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 157159685) is N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is COc1cc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)ccc1OCc1ccccc1.[H][H].
What is the InChIKey of N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is AMFKBAKFPDTEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3.H2/c1-29(2,3)27-17-21-16-23(11-12-24(21)32-27)31-28(33)30(14-15-30)22-10-13-25(26(18-22)34-4)35-19-20-8-6-5-7-9-20;/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);1H.
What are the key properties of N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 470.61 g/mol, XLogP of 6.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157159685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).