3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide

C11H15N3O3 — CID 54862606

IUPAC3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8(13-11(15)5-6-12)9-3-2-4-10(7-9)14(16)17/h2-4,7-8H,5-6,12H2,1H3,(H,13,15)
InChIKeyRSIAWBFWCCPAEM-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.12
Rot. Bonds5

About 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide

3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide (PubChem CID 54862606) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
PubChem CID54862606
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8(13-11(15)5-6-12)9-3-2-4-10(7-9)14(16)17/h2-4,7-8H,5-6,12H2,1H3,(H,13,15)
InChIKeyRSIAWBFWCCPAEM-UHFFFAOYSA-N
XLogP1.12
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-nitrophenyl)ethyl]-3-oxobutanamide
CID 54867131
3-amino-2-methyl-N-[1-(3-nitrophenyl)ethyl]propanamide
CID 55104277
2-(1-aminocyclopentyl)-N-[1-(3-nitrophenyl)ethyl]acetamide
CID 64684273
4-(4-ethylphenyl)-N-[1-(3-nitrophenyl)ethyl]-4-oxobutanamide
CID 55924542
(2R)-2-amino-N-[1-(3-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119287279
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
(2S)-2-amino-N-[1-(3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119287283
3-amino-4-[1-(3-nitrophenyl)ethylamino]-4-oxobutanoic acid
CID 64895714
2-amino-3-methyl-N-[1-(3-nitrophenyl)ethyl]pentanamide
CID 60927746
1-amino-N-[1-(3-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65465737
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide (CID 54862606) is 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide is CC(NC(=O)CCN)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide?
The InChIKey is RSIAWBFWCCPAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(13-11(15)5-6-12)9-3-2-4-10(7-9)14(16)17/h2-4,7-8H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide?
3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide has a molecular weight of 237.26 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-nitrophenyl)ethyl]propanamide is sourced from PubChem (CID 54862606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).