3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide

C20H25N3O3 — CID 119747750

IUPAC3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(N)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(2)22(13-16-9-11-18(12-10-16)23(25)26)20(24)15(3)19(21)17-7-5-4-6-8-17/h4-12,14-15,19H,13,21H2,1-3H3
InChIKeyDEZBQXULIBNKHG-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.67
Rot. Bonds7

About 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide

3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 119747750) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide
PubChem CID119747750
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(N)c1ccccc1
InChIInChI=1S/C20H25N3O3/c1-14(2)22(13-16-9-11-18(12-10-16)23(25)26)20(24)15(3)19(21)17-7-5-4-6-8-17/h4-12,14-15,19H,13,21H2,1-3H3
InChIKeyDEZBQXULIBNKHG-UHFFFAOYSA-N
XLogP3.67
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
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-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
CID 119688833
3-amino-N-[(4-nitrophenyl)methyl]-N-propan-2-ylpropanamide
CID 119302700
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
2-amino-N-[2-(4-nitrophenyl)ethyl]-2-phenylacetamide
CID 174361178
4-amino-3-methoxy-N-[(4-nitrophenyl)methyl]-N-propan-2-ylbutanamide
CID 120590125
1-ethyl-4-nitrobenzene;1-phenylethylbenzene
CID 145486394
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867
3-[methyl-[(4-nitrophenyl)methyl]amino]-1-phenylpropan-1-ol
CID 141224806
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide (CID 119747750) is 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide is CC(C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is DEZBQXULIBNKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)22(13-16-9-11-18(12-10-16)23(25)26)20(24)15(3)19(21)17-7-5-4-6-8-17/h4-12,14-15,19H,13,21H2,1-3H3.
What are the key properties of 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide?
3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(4-nitrophenyl)methyl]-3-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 119747750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).