3-[(4-acetamidophenyl)methylamino]propanamide

C12H17N3O2 — CID 43553315

IUPAC3-[(4-acetamidophenyl)methylamino]propanamide
SMILESCC(=O)Nc1ccc(CNCCC(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-9(16)15-11-4-2-10(3-5-11)8-14-7-6-12(13)17/h2-5,14H,6-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyCPALKZGREDPRRD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds6

About 3-[(4-acetamidophenyl)methylamino]propanamide

3-[(4-acetamidophenyl)methylamino]propanamide (PubChem CID 43553315) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)methylamino]propanamide
PubChem CID43553315
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[(4-acetamidophenyl)methylamino]propanamide
SMILESCC(=O)Nc1ccc(CNCCC(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-9(16)15-11-4-2-10(3-5-11)8-14-7-6-12(13)17/h2-5,14H,6-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyCPALKZGREDPRRD-UHFFFAOYSA-N
XLogP0.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
3-[(4-hydroxyphenyl)methylamino]propanamide
CID 43553347
3-[(4-acetamidophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581419
4-[[(3-amino-3-oxopropyl)amino]methyl]benzamide
CID 43420714
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)methylamino]propanamide?
The IUPAC name of 3-[(4-acetamidophenyl)methylamino]propanamide (CID 43553315) is 3-[(4-acetamidophenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(4-acetamidophenyl)methylamino]propanamide?
The canonical SMILES for 3-[(4-acetamidophenyl)methylamino]propanamide is CC(=O)Nc1ccc(CNCCC(N)=O)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)methylamino]propanamide?
The InChIKey is CPALKZGREDPRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)15-11-4-2-10(3-5-11)8-14-7-6-12(13)17/h2-5,14H,6-8H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 3-[(4-acetamidophenyl)methylamino]propanamide?
3-[(4-acetamidophenyl)methylamino]propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)methylamino]propanamide is sourced from PubChem (CID 43553315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).