N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide

C23H26N2O3 — CID 56525663

IUPACN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
SMILESO=C(CCN(C1CC1)C1CCCc2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H26N2O3/c26-23(24-17-8-11-21-22(14-17)28-15-27-21)12-13-25(18-9-10-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-2,4,6,8,11,14,18,20H,3,5,7,9-10,12-13,15H2,(H,24,26)
InChIKeyYWQNHNXYUZUVLX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.29
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide

N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide (PubChem CID 56525663) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
PubChem CID56525663
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
SMILESO=C(CCN(C1CC1)C1CCCc2ccccc21)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H26N2O3/c26-23(24-17-8-11-21-22(14-17)28-15-27-21)12-13-25(18-9-10-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-2,4,6,8,11,14,18,20H,3,5,7,9-10,12-13,15H2,(H,24,26)
InChIKeyYWQNHNXYUZUVLX-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 56525567
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 47220201
3-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 56525625
N-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509749
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568594
1-(1,3-benzodioxol-5-yl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 27516454
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260785
2-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-cyclopropylamino]propanoic acid
CID 122100534
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 127347117
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(1,3-benzodioxol-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51302967

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide (CID 56525663) is N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide is O=C(CCN(C1CC1)C1CCCc2ccccc21)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
The InChIKey is YWQNHNXYUZUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-23(24-17-8-11-21-22(14-17)28-15-27-21)12-13-25(18-9-10-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-2,4,6,8,11,14,18,20H,3,5,7,9-10,12-13,15H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide has a molecular weight of 378.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide is sourced from PubChem (CID 56525663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).