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

C11H15N3O3 — CID 61057620

IUPACN-methyl-2-[(3-nitrophenyl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8(11(15)12-2)13-7-9-4-3-5-10(6-9)14(16)17/h3-6,8,13H,7H2,1-2H3,(H,12,15)
InChIKeyYPJPJJWSCJMQPT-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.82
Rot. Bonds5

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

N-methyl-2-[(3-nitrophenyl)methylamino]propanamide (PubChem CID 61057620) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-methyl-2-[(3-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(3-nitrophenyl)methylamino]propanamide
PubChem CID61057620
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-methyl-2-[(3-nitrophenyl)methylamino]propanamide
SMILESCNC(=O)C(C)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O3/c1-8(11(15)12-2)13-7-9-4-3-5-10(6-9)14(16)17/h3-6,8,13H,7H2,1-2H3,(H,12,15)
InChIKeyYPJPJJWSCJMQPT-UHFFFAOYSA-N
XLogP0.82
TPSA84.27 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 ≤ 50.82
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

2-[(3-nitrophenyl)methylamino]-N-prop-2-ynylpropanamide
CID 55070949
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
2-[(3-methoxy-5-nitrophenyl)methylamino]-N-methylpropanamide
CID 81150215
(2R)-N-methyl-2-[(3-methylphenyl)methylamino]propanamide
CID 93383408
N-methyl-2-[(3-propan-2-ylphenyl)methylamino]propanamide
CID 20823796
(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
(2S)-3,3-dimethyl-2-[(3-nitrophenyl)methylamino]butanamide
CID 71983342
3-methyl-N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 61463702
2-N-[(3-nitrophenyl)methyl]propane-1,2-diamine
CID 103389797
2-methyl-3-[(3-nitrophenyl)methylamino]-3-oxopropanoic acid
CID 114898347
(2S)-1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine
CID 872134

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-nitrophenyl)methylamino]propanamide?
The IUPAC name of N-methyl-2-[(3-nitrophenyl)methylamino]propanamide (CID 61057620) is N-methyl-2-[(3-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for N-methyl-2-[(3-nitrophenyl)methylamino]propanamide?
The canonical SMILES for N-methyl-2-[(3-nitrophenyl)methylamino]propanamide is CNC(=O)C(C)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-2-[(3-nitrophenyl)methylamino]propanamide?
The InChIKey is YPJPJJWSCJMQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(11(15)12-2)13-7-9-4-3-5-10(6-9)14(16)17/h3-6,8,13H,7H2,1-2H3,(H,12,15).
What are the key properties of N-methyl-2-[(3-nitrophenyl)methylamino]propanamide?
N-methyl-2-[(3-nitrophenyl)methylamino]propanamide has a molecular weight of 237.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 61057620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).