3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide

C17H26N4O3 — CID 82034660

IUPAC3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)NC2CCCCC2)cc1NC(=O)CCN
InChIInChI=1S/C17H26N4O3/c1-24-15-8-7-13(11-14(15)21-16(22)9-10-18)20-17(23)19-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10,18H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyISSOPZGOGRXPMI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.44
Rot. Bonds6

About 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide

3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide (PubChem CID 82034660) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
PubChem CID82034660
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)NC2CCCCC2)cc1NC(=O)CCN
InChIInChI=1S/C17H26N4O3/c1-24-15-8-7-13(11-14(15)21-16(22)9-10-18)20-17(23)19-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10,18H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyISSOPZGOGRXPMI-UHFFFAOYSA-N
XLogP2.44
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 39184480
1-cycloheptyl-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825817
1-cyclohexyl-3-(2-methoxy-5-propylphenyl)urea
CID 146221893
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
CID 131919860
1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
CID 116658847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide?
The IUPAC name of 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide (CID 82034660) is 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide.
What is the SMILES notation for 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide?
The canonical SMILES for 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide is COc1ccc(NC(=O)NC2CCCCC2)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide?
The InChIKey is ISSOPZGOGRXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-15-8-7-13(11-14(15)21-16(22)9-10-18)20-17(23)19-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10,18H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide?
3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide has a molecular weight of 334.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide is sourced from PubChem (CID 82034660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).