N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide

C13H17N3O2 — CID 119706274

IUPACN-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C13H17N3O2/c1-9(17)16-11-4-2-3-10(7-11)8-15-12(18)13(14)5-6-13/h2-4,7H,5-6,8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyDYWIIQOMZFUHNR-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.75
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide

N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide (PubChem CID 119706274) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
PubChem CID119706274
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)C2(N)CC2)c1
InChIInChI=1S/C13H17N3O2/c1-9(17)16-11-4-2-3-10(7-11)8-15-12(18)13(14)5-6-13/h2-4,7H,5-6,8,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyDYWIIQOMZFUHNR-UHFFFAOYSA-N
XLogP0.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743688
1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
CID 119287309
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
N-[3-[2-[4-[(hydrazinecarbonylamino)methyl]phenyl]ethyl]phenyl]acetamide
CID 151709013
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide (CID 119706274) is N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide is CC(=O)Nc1cccc(CNC(=O)C2(N)CC2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide?
The InChIKey is DYWIIQOMZFUHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)16-11-4-2-3-10(7-11)8-15-12(18)13(14)5-6-13/h2-4,7H,5-6,8,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide?
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide is sourced from PubChem (CID 119706274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).