N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide

C16H23N3O3 — CID 4120812

IUPACN-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-11(20)17-13-8-9-15(22-2)14(10-13)19-16(21)18-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyXBLIMIKVZXUPOX-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.11
Rot. Bonds4

About N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide

N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide (PubChem CID 4120812) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
PubChem CID4120812
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)NC1CCCCC1
InChIInChI=1S/C16H23N3O3/c1-11(20)17-13-8-9-15(22-2)14(10-13)19-16(21)18-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H2,18,19,21)
InChIKeyXBLIMIKVZXUPOX-UHFFFAOYSA-N
XLogP3.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 47127639
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
3-amino-N-[5-(cyclohexylcarbamoylamino)-2-methoxyphenyl]propanamide
CID 82034660
5-acetamido-N-cycloheptyl-2-methoxybenzamide
CID 110764502
1-cyclohexyl-3-(2-methoxy-5-propylphenyl)urea
CID 146221893
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
1-cyclohexyl-3-(4-fluoro-2-methoxyphenyl)urea
CID 47202448
N-[4-(cyclohexylcarbamothioylamino)-2,5-dimethoxyphenyl]acetamide
CID 1427967
N-[4-methoxy-3-(thian-4-ylamino)phenyl]acetamide
CID 43715792
2-(5-acetamido-2-methoxyanilino)-N-cyclopropyl-2-phenylacetamide
CID 17428047

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide (CID 4120812) is N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NC(=O)NC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide?
The InChIKey is XBLIMIKVZXUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(20)17-13-8-9-15(22-2)14(10-13)19-16(21)18-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,20)(H2,18,19,21).
What are the key properties of N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide?
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 4120812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).