4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide

C19H26N4O4 — CID 55968048

IUPAC4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide
SMILESCCNC(=O)C1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCC1
InChIInChI=1S/C19H26N4O4/c1-2-20-18(25)19(10-4-3-5-11-19)22-17(24)13-6-9-15(21-14-7-8-14)16(12-13)23(26)27/h6,9,12,14,21H,2-5,7-8,10-11H2,1H3,(H,20,25)(H,22,24)
InChIKeyQIEPQEXUBGPFOE-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.74
Rot. Bonds7

About 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide

4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide (PubChem CID 55968048) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide
PubChem CID55968048
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide
SMILESCCNC(=O)C1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCC1
InChIInChI=1S/C19H26N4O4/c1-2-20-18(25)19(10-4-3-5-11-19)22-17(24)13-6-9-15(21-14-7-8-14)16(12-13)23(26)27/h6,9,12,14,21H,2-5,7-8,10-11H2,1H3,(H,20,25)(H,22,24)
InChIKeyQIEPQEXUBGPFOE-UHFFFAOYSA-N
XLogP2.74
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
4-(cyclopropylamino)-N-[(1-hydroxycyclohexyl)methyl]-3-nitrobenzamide
CID 111485738
4-(cyclopropylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-3-nitrobenzamide
CID 33262710
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(cyclopropylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)-3-nitrobenzamide
CID 51146157
4-(cyclopropylamino)-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7923143
4-(cyclopropylamino)-N-(3-hydroxybutyl)-3-nitrobenzamide
CID 111433560
4-[(4-ethylcyclohexyl)amino]-3-nitrobenzoic acid
CID 63537170
N-(3-amino-2-methylpropyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 119995566
4-(cyclopropylamino)-N'-(4-ethoxybenzoyl)-3-nitrobenzohydrazide
CID 9160811
N-[3-(azepan-1-yl)propyl]-4-(cyclopropylamino)-3-nitrobenzamide
CID 27032497

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide (CID 55968048) is 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide is CCNC(=O)C1(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCCCC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide?
The InChIKey is QIEPQEXUBGPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-20-18(25)19(10-4-3-5-11-19)22-17(24)13-6-9-15(21-14-7-8-14)16(12-13)23(26)27/h6,9,12,14,21H,2-5,7-8,10-11H2,1H3,(H,20,25)(H,22,24).
What are the key properties of 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide?
4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide has a molecular weight of 374.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[1-(ethylcarbamoyl)cyclohexyl]-3-nitrobenzamide is sourced from PubChem (CID 55968048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).