2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide

C11H15N3O3 — CID 54871470

IUPAC2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
SMILESCC(N)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8(12)11(15)13(2)7-9-4-3-5-10(6-9)14(16)17/h3-6,8H,7,12H2,1-2H3
InChIKeyPSKNWBSLJFZECW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide

2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide (PubChem CID 54871470) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
PubChem CID54871470
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
SMILESCC(N)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8(12)11(15)13(2)7-9-4-3-5-10(6-9)14(16)17/h3-6,8H,7,12H2,1-2H3
InChIKeyPSKNWBSLJFZECW-UHFFFAOYSA-N
XLogP0.90
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
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

2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
CID 115286632
2-(aminomethyl)-N-methyl-N-[(3-nitrophenyl)methyl]butanamide
CID 65227283
2-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47027180
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)propanamide
CID 8609346
1-(3-nitrophenyl)propan-2-amine;hydrochloride
CID 22461228
2-methyl-N-(2-methylpropyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 52525630
N-methyl-1-(3-nitrophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 112841430

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide (CID 54871470) is 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide is CC(N)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
The InChIKey is PSKNWBSLJFZECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(12)11(15)13(2)7-9-4-3-5-10(6-9)14(16)17/h3-6,8H,7,12H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide?
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide has a molecular weight of 237.26 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide is sourced from PubChem (CID 54871470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).