3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide

C19H23N3O3 — CID 119819665

IUPAC3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-12-9-10-16(11-17(12)22(24)25)14(3)21-19(23)13(2)18(20)15-7-5-4-6-8-15/h4-11,13-14,18H,20H2,1-3H3,(H,21,23)
InChIKeySJYAATJAVTVHBG-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.42
Rot. Bonds6

About 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide

3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide (PubChem CID 119819665) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide
PubChem CID119819665
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H23N3O3/c1-12-9-10-16(11-17(12)22(24)25)14(3)21-19(23)13(2)18(20)15-7-5-4-6-8-15/h4-11,13-14,18H,20H2,1-3H3,(H,21,23)
InChIKeySJYAATJAVTVHBG-UHFFFAOYSA-N
XLogP3.42
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.42
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

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
(2S)-2-amino-N-[1-(4-methyl-3-nitrophenyl)ethyl]-4-methylsulfanylbutanamide
CID 119344138
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119720013
3-amino-2-methyl-N-[2-(2-nitrophenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119802876
3-amino-N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119745654
3-hydroxy-2-methyl-3-(4-methyl-3-nitrophenyl)propanoic acid
CID 91648737
2-methoxycarbonyl-3-(4-methyl-3-nitrophenyl)-3-phenylpropanoic acid
CID 118919044
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119716655
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119801225
3-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119692503
4-amino-N-[1-(4-methyl-3-nitrophenyl)ethyl]butanamide;hydrochloride
CID 119344150
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide (CID 119819665) is 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide is Cc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is SJYAATJAVTVHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-9-10-16(11-17(12)22(24)25)14(3)21-19(23)13(2)18(20)15-7-5-4-6-8-15/h4-11,13-14,18H,20H2,1-3H3,(H,21,23).
What are the key properties of 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119819665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).