(2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide

C15H23N3O3 — CID 144537334

IUPAC(2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide
SMILESCCCNCCC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O3/c1-3-10-16-11-4-5-12(2)15(19)17-13-6-8-14(9-7-13)18(20)21/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyCGRVWVADYKGLAF-LBPRGKRZSA-N
MW293.37 g/mol
LogP2.95
Rot. Bonds9

About (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide

(2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide (PubChem CID 144537334) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide
PubChem CID144537334
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide
SMILESCCCNCCC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H23N3O3/c1-3-10-16-11-4-5-12(2)15(19)17-13-6-8-14(9-7-13)18(20)21/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyCGRVWVADYKGLAF-LBPRGKRZSA-N
XLogP2.95
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
(2R)-2-[(4-nitrophenyl)carbamoylamino]-N-propylpropanamide
CID 39963659
N-[(2S)-4-methyl-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-(sulfanylmethyl)hexanamide
CID 10222337
[5-acetamido-6-(4-nitroanilino)-6-oxohexyl]carbamic acid
CID 154945026
(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
N'-(4-nitrophenyl)-N-pentylethane-1,2-diamine
CID 57007665
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
(2R)-2-acetamido-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide
CID 129360490
2-methyl-N-(4-nitrophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 19562392
N-(4-nitrophenyl)hexadecanamide
CID 14087849
2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide?
The IUPAC name of (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide (CID 144537334) is (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide.
What is the SMILES notation for (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide?
The canonical SMILES for (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide is CCCNCCC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide?
The InChIKey is CGRVWVADYKGLAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-10-16-11-4-5-12(2)15(19)17-13-6-8-14(9-7-13)18(20)21/h6-9,12,16H,3-5,10-11H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide?
(2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide has a molecular weight of 293.37 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(4-nitrophenyl)-5-(propylamino)pentanamide is sourced from PubChem (CID 144537334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).