N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide

C18H20N2O3 — CID 101069481

IUPACN-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)Cc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-3-19(14(2)13-15-7-5-4-6-8-15)18(21)16-9-11-17(12-10-16)20(22)23/h4-12,14H,3,13H2,1-2H3
InChIKeyFJQRSGFWGGNHIK-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.69
Rot. Bonds6

About N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide

N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 101069481) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide
PubChem CID101069481
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)Cc1ccccc1
InChIInChI=1S/C18H20N2O3/c1-3-19(14(2)13-15-7-5-4-6-8-15)18(21)16-9-11-17(12-10-16)20(22)23/h4-12,14H,3,13H2,1-2H3
InChIKeyFJQRSGFWGGNHIK-UHFFFAOYSA-N
XLogP3.69
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
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

N-ethyl-4-nitro-N-pentan-3-ylbenzamide
CID 54020030
N,N-bis[(2R)-butan-2-yl]-4-nitrobenzamide
CID 844902
N-(2-hydroxyethyl)-4-nitro-N-propan-2-ylbenzamide
CID 43573013
N-(1-chloropropan-2-yl)-N-methyl-4-nitrobenzamide
CID 104555660
2-(dimethylamino)-3-(4-nitrophenyl)-1-phenylpropan-1-one
CID 12727858
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 1059578
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227
tert-butyl N-benzyl-N-(4-nitrobenzoyl)carbamate
CID 10450911
(4-nitrophenyl)-phenylmethanone;propan-2-ol
CID 174454674
ethyl 2-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 12607993
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
3-[ethyl-[2-(4-nitrophenyl)acetyl]amino]butanoic acid
CID 62821560

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide (CID 101069481) is N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide is CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)Cc1ccccc1.
What is the InChIKey of N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is FJQRSGFWGGNHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-19(14(2)13-15-7-5-4-6-8-15)18(21)16-9-11-17(12-10-16)20(22)23/h4-12,14H,3,13H2,1-2H3.
What are the key properties of N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide?
N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nitro-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 101069481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).