N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide

C16H23N3O2 — CID 60979759

IUPACN-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCNC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-16(21)8-9-17-14-6-7-14)13-4-3-5-15(10-13)19-12(2)20/h3-5,10-11,14,17H,6-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDONGLRIFJMOQHT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.96
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide

N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide (PubChem CID 60979759) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
PubChem CID60979759
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CCNC2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11(18-16(21)8-9-17-14-6-7-14)13-4-3-5-15(10-13)19-12(2)20/h3-5,10-11,14,17H,6-9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyDONGLRIFJMOQHT-UHFFFAOYSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
N-[1-(4-tert-butylphenyl)ethyl]-3-(cyclopropylamino)propanamide
CID 60866018
3-(cyclopropylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404464
3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 60868181
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide (CID 60979759) is N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide is CC(=O)Nc1cccc(C(C)NC(=O)CCNC2CC2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide?
The InChIKey is DONGLRIFJMOQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(18-16(21)8-9-17-14-6-7-14)13-4-3-5-15(10-13)19-12(2)20/h3-5,10-11,14,17H,6-9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide?
N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 60979759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).