4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C20H30N4O3 — CID 119865091

IUPAC4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNC1CCCC(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1
InChIInChI=1S/C20H30N4O3/c21-17-3-1-2-16(14-17)20(26)23-18-6-4-15(5-7-18)19(25)22-8-9-24-10-12-27-13-11-24/h4-7,16-17H,1-3,8-14,21H2,(H,22,25)(H,23,26)
InChIKeyFLRPXFPYSOSQEY-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.20
Rot. Bonds6

About 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 119865091) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID119865091
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNC1CCCC(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1
InChIInChI=1S/C20H30N4O3/c21-17-3-1-2-16(14-17)20(26)23-18-6-4-15(5-7-18)19(25)22-8-9-24-10-12-27-13-11-24/h4-7,16-17H,1-3,8-14,21H2,(H,22,25)(H,23,26)
InChIKeyFLRPXFPYSOSQEY-UHFFFAOYSA-N
XLogP1.20
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
(2S,4S)-2-methyl-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120645418
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
(2S,5R)-5-(aminomethyl)-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120799120
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119702395
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885582
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 119865091) is 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is NC1CCCC(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1.
What is the InChIKey of 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is FLRPXFPYSOSQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c21-17-3-1-2-16(14-17)20(26)23-18-6-4-15(5-7-18)19(25)22-8-9-24-10-12-27-13-11-24/h4-7,16-17H,1-3,8-14,21H2,(H,22,25)(H,23,26).
What are the key properties of 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 374.49 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 119865091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).