N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide

C15H24N4O3 — CID 119586024

IUPACN-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide
SMILESCC(C)CC(CN)NC(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-11(2)9-12(10-16)18-15(20)7-8-17-13-5-3-4-6-14(13)19(21)22/h3-6,11-12,17H,7-10,16H2,1-2H3,(H,18,20)
InChIKeyPYHPENBFDURIRC-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.89
Rot. Bonds9

About N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide

N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide (PubChem CID 119586024) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide
PubChem CID119586024
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide
SMILESCC(C)CC(CN)NC(=O)CCNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O3/c1-11(2)9-12(10-16)18-15(20)7-8-17-13-5-3-4-6-14(13)19(21)22/h3-6,11-12,17H,7-10,16H2,1-2H3,(H,18,20)
InChIKeyPYHPENBFDURIRC-UHFFFAOYSA-N
XLogP1.89
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.89
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'}

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Related Compounds

3-methyl-2-[3-(2-nitroanilino)propanoylamino]butanoic acid
CID 119169891
N-ethoxy-3-(2-nitroanilino)propanamide
CID 51337314
N-[(1S)-1-(1-adamantyl)ethyl]-3-(2-nitroanilino)propanamide
CID 42033141
N-(3-methylbutyl)-2-nitroaniline
CID 21476259
2-cyclopropyl-2-[3-(2-nitroanilino)propanoylamino]acetic acid
CID 119213261
(2S)-2-(carbamoylamino)-3-methyl-N-[2-(2-nitroanilino)ethyl]butanamide
CID 9278465
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide
CID 119572924
3-amino-N-[2-(2-nitroanilino)ethyl]propanamide;hydrochloride
CID 119272735
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-nitroanilino)propanamide
CID 16962798
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(2-nitroanilino)propanamide
CID 134053807
N-[2-(aminomethyl)cyclohexyl]-3-(2-nitroanilino)propanamide;hydrochloride
CID 119609788
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-nitroanilino)propanamide
CID 16962812

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide (CID 119586024) is N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide is CC(C)CC(CN)NC(=O)CCNc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide?
The InChIKey is PYHPENBFDURIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11(2)9-12(10-16)18-15(20)7-8-17-13-5-3-4-6-14(13)19(21)22/h3-6,11-12,17H,7-10,16H2,1-2H3,(H,18,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide?
N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide has a molecular weight of 308.38 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-3-(2-nitroanilino)propanamide is sourced from PubChem (CID 119586024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).