N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide

C11H14N4O4 — CID 61068799

IUPACN-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide
SMILESCC(NCc1ccccc1[N+](=O)[O-])C(=O)NC(N)=O
InChIInChI=1S/C11H14N4O4/c1-7(10(16)14-11(12)17)13-6-8-4-2-3-5-9(8)15(18)19/h2-5,7,13H,6H2,1H3,(H3,12,14,16,17)
InChIKeyOAEPHRFEMQNGBA-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.27
Rot. Bonds5

About N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide

N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide (PubChem CID 61068799) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide
PubChem CID61068799
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC NameN-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide
SMILESCC(NCc1ccccc1[N+](=O)[O-])C(=O)NC(N)=O
InChIInChI=1S/C11H14N4O4/c1-7(10(16)14-11(12)17)13-6-8-4-2-3-5-9(8)15(18)19/h2-5,7,13H,6H2,1H3,(H3,12,14,16,17)
InChIKeyOAEPHRFEMQNGBA-UHFFFAOYSA-N
XLogP0.27
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-nitrophenyl)methylamino]-N-pentylpropanamide
CID 61068301
N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide
CID 43739340
2-[(2-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61068957
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
4-methyl-3-[(2-nitrophenyl)methylamino]pentanoic acid
CID 3271868
methyl 3-methyl-2-[(2-nitrophenyl)methylamino]pentanoate
CID 43230991
N-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide
CID 54950720
2-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]-6-nitrobenzoic acid
CID 103245336
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932
(2S)-3-amino-N-hydroxy-2-[(2-nitrophenyl)methylamino]propanamide
CID 87749363

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide (CID 61068799) is N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide is CC(NCc1ccccc1[N+](=O)[O-])C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide?
The InChIKey is OAEPHRFEMQNGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-7(10(16)14-11(12)17)13-6-8-4-2-3-5-9(8)15(18)19/h2-5,7,13H,6H2,1H3,(H3,12,14,16,17).
What are the key properties of N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide?
N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide has a molecular weight of 266.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 61068799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).