4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide

C20H23N3O4 — CID 17196099

IUPAC4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-13-22(14-4-2)20(25)16-5-9-17(10-6-16)21-19(24)15-7-11-18(12-8-15)23(26)27/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyZDPZDNJNTIRCMD-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.11
Rot. Bonds8

About 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide

4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide (PubChem CID 17196099) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
PubChem CID17196099
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-13-22(14-4-2)20(25)16-5-9-17(10-6-16)21-19(24)15-7-11-18(12-8-15)23(26)27/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyZDPZDNJNTIRCMD-UHFFFAOYSA-N
XLogP4.11
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.11
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

N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
methyl 4-[[4-(dipropylcarbamoyl)benzoyl]amino]benzoate
CID 109049092
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
4-[(4-ethoxybenzoyl)amino]-N,N-dipropylbenzamide
CID 17196180
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
N-butyl-4-[(4-nitrophenyl)diazenyl]-N-propylbenzamide
CID 71438380
3-(4-nitrophenyl)-1-propyl-1-prop-2-ynylurea
CID 78969976
4-benzamido-N-(cyanomethyl)-N-propylbenzamide
CID 52729751
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891

Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide (CID 17196099) is 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide?
The InChIKey is ZDPZDNJNTIRCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-13-22(14-4-2)20(25)16-5-9-17(10-6-16)21-19(24)15-7-11-18(12-8-15)23(26)27/h5-12H,3-4,13-14H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide?
4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrobenzoyl)amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 17196099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).