N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide

C18H18N2O3 — CID 46513490

IUPACN-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H18N2O3/c21-17(12-13-6-10-16(11-7-13)20(22)23)19-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18H,8-9,12H2,(H,19,21)
InChIKeyNZWDLUWAUCXQFC-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.40
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide

N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide (PubChem CID 46513490) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
PubChem CID46513490
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H18N2O3/c21-17(12-13-6-10-16(11-7-13)20(22)23)19-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18H,8-9,12H2,(H,19,21)
InChIKeyNZWDLUWAUCXQFC-UHFFFAOYSA-N
XLogP3.40
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
2-(4-nitrophenyl)-N-(1-phenylethyl)acetamide
CID 2726136
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55478338
N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
CID 106737533
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55942285
(2S)-2-[[2-(4-nitrophenyl)acetyl]amino]butanedioic acid
CID 71404929
methyl 3-[[cyclopropyl(phenyl)methyl]carbamoyl]-5-nitrobenzoate
CID 42929266
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
2-(4-nitrophenyl)-N-(2-oxo-4-phenylazetidin-3-yl)acetamide
CID 54382038
N-[(R)-cyclopentyl(phenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2203053

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide (CID 46513490) is N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is NZWDLUWAUCXQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(12-13-6-10-16(11-7-13)20(22)23)19-18(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,18H,8-9,12H2,(H,19,21).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide?
N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 46513490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).