(2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide

C14H20N4O3 — CID 56934013

IUPAC(2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide
SMILESCC(C)C[C@H](N)C(=O)N/N=C/Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O3/c1-10(2)9-13(15)14(19)17-16-8-7-11-3-5-12(6-4-11)18(20)21/h3-6,8,10,13H,7,9,15H2,1-2H3,(H,17,19)/b16-8+/t13-/m0/s1
InChIKeyBZDKVEFFJMTLFS-MJOIQJIUSA-N
MW292.34 g/mol
LogP1.61
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide

(2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide (PubChem CID 56934013) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide
PubChem CID56934013
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide
SMILESCC(C)C[C@H](N)C(=O)N/N=C/Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H20N4O3/c1-10(2)9-13(15)14(19)17-16-8-7-11-3-5-12(6-4-11)18(20)21/h3-6,8,10,13H,7,9,15H2,1-2H3,(H,17,19)/b16-8+/t13-/m0/s1
InChIKeyBZDKVEFFJMTLFS-MJOIQJIUSA-N
XLogP1.61
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(2R)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide
CID 7269396
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
(2S)-2-amino-4-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
CID 61178947
methyl (2S,4R)-4-amino-2-methyl-5-(4-nitrophenyl)pentanoate
CID 118442920
(2S)-2-amino-N-(2-methoxy-4-nitrophenyl)-4-methylpentanamide
CID 61179493
2-amino-N-(2-methoxy-5-nitrophenyl)-4-methylpentanamide
CID 43426915
(2S)-2-amino-N-[(3S)-1-(2-cyano-4-nitrophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 50997706
(4-nitrophenyl)methyl N-(2-methylpropyl)carbamate
CID 22367016
2-[[3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid
CID 1270
ethane;methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate
CID 142012617
(2S)-2-[[3-amino-2-hydroxy-4-(4-nitrophenyl)butanoyl]amino]-4-methylpentanoic acid;hydrochloride
CID 67929377
N-hydroxy-3-(4-nitrophenyl)-2-(propan-2-ylamino)propanamide
CID 23148382

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide (CID 56934013) is (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide is CC(C)C[C@H](N)C(=O)N/N=C/Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide?
The InChIKey is BZDKVEFFJMTLFS-MJOIQJIUSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10(2)9-13(15)14(19)17-16-8-7-11-3-5-12(6-4-11)18(20)21/h3-6,8,10,13H,7,9,15H2,1-2H3,(H,17,19)/b16-8+/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide?
(2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide has a molecular weight of 292.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[(E)-2-(4-nitrophenyl)ethylideneamino]pentanamide is sourced from PubChem (CID 56934013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).