(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide

C16H16N2O4 — CID 2111458

IUPAC(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-11(12-3-7-14(8-4-12)18(20)21)16(19)17-13-5-9-15(22-2)10-6-13/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyVVVKQIDTXYRJIB-NSHDSACASA-N
MW300.31 g/mol
LogP3.35
Rot. Bonds5

About (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide

(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide (PubChem CID 2111458) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
PubChem CID2111458
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H16N2O4/c1-11(12-3-7-14(8-4-12)18(20)21)16(19)17-13-5-9-15(22-2)10-6-13/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1
InChIKeyVVVKQIDTXYRJIB-NSHDSACASA-N
XLogP3.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.35
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

(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
CID 2111469
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
CID 2944222
N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
CID 3650874
2-(4-nitrophenoxy)-N-(4-nitrophenyl)propanamide
CID 4951253
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
(2S)-N-(4-methoxyphenyl)-2-morpholin-4-yl-2-(4-nitrophenyl)acetamide
CID 7279087
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(4-nitroanilino)ethyl]propanamide
CID 9309061
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide (CID 2111458) is (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide is COc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is VVVKQIDTXYRJIB-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(12-3-7-14(8-4-12)18(20)21)16(19)17-13-5-9-15(22-2)10-6-13/h3-11H,1-2H3,(H,17,19)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide?
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide has a molecular weight of 300.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 2111458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).