N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide

C18H27N3O3 — CID 72894420

IUPACN-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
SMILESCOc1ccc(C)c(NC(=O)NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-13-8-9-15(24-2)12-16(13)21-18(23)19-11-10-17(22)20-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyUIWKEUNNZFHLLP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.96
Rot. Bonds6

About N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide

N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide (PubChem CID 72894420) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
PubChem CID72894420
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
SMILESCOc1ccc(C)c(NC(=O)NCCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-13-8-9-15(24-2)12-16(13)21-18(23)19-11-10-17(22)20-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKeyUIWKEUNNZFHLLP-UHFFFAOYSA-N
XLogP2.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
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CID 55951561
N-[3-(cyclohexylamino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191583
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
N-cyclopentyl-3-[1-(4-methoxyphenyl)propylcarbamoylamino]propanamide
CID 60569995
N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 8713321
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclohexyl-3-[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111183146
3-[(5-acetamido-2-fluorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 86830681
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CID 91646228

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide (CID 72894420) is N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide is COc1ccc(C)c(NC(=O)NCCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide?
The InChIKey is UIWKEUNNZFHLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-8-9-15(24-2)12-16(13)21-18(23)19-11-10-17(22)20-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide?
N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 72894420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).