3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide

C23H29N3O3 — CID 46597632

IUPAC3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H29N3O3/c27-22(15-16-24-23(28)26-19-9-5-2-6-10-19)25-20-11-13-21(14-12-20)29-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-17H2,(H,25,27)(H2,24,26,28)
InChIKeyLKUOTZOPYGNRDN-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.23
Rot. Bonds8

About 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide

3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 46597632) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID46597632
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H29N3O3/c27-22(15-16-24-23(28)26-19-9-5-2-6-10-19)25-20-11-13-21(14-12-20)29-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-17H2,(H,25,27)(H2,24,26,28)
InChIKeyLKUOTZOPYGNRDN-UHFFFAOYSA-N
XLogP4.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2,2-dimethyl-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108959064
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
N-cyclohexyl-3-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54822029
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
2-[acetyl(cyclopentyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113159367
3-[acetyl(cyclopropyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113115474
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide
CID 9034708
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
benzyl 2-[4-(cyclohexylcarbamoylamino)butanoylamino]acetate
CID 16614928

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide (CID 46597632) is 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide is O=C(CCNC(=O)NC1CCCCC1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is LKUOTZOPYGNRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(15-16-24-23(28)26-19-9-5-2-6-10-19)25-20-11-13-21(14-12-20)29-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15-17H2,(H,25,27)(H2,24,26,28).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide?
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 46597632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).