3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide

C19H29N3O4 — CID 46413738

IUPAC3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
SMILESCOc1cccc(OCCNC(=O)CCNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H29N3O4/c1-25-16-8-5-9-17(14-16)26-13-12-20-18(23)10-11-21-19(24)22-15-6-3-2-4-7-15/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyFNVKKSDHRHRFON-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.21
Rot. Bonds9

About 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide (PubChem CID 46413738) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
PubChem CID46413738
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
SMILESCOc1cccc(OCCNC(=O)CCNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H29N3O4/c1-25-16-8-5-9-17(14-16)26-13-12-20-18(23)10-11-21-19(24)22-15-6-3-2-4-7-15/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyFNVKKSDHRHRFON-UHFFFAOYSA-N
XLogP2.21
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18162061
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006870
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide (CID 46413738) is 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide is COc1cccc(OCCNC(=O)CCNC(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
The InChIKey is FNVKKSDHRHRFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-25-16-8-5-9-17(14-16)26-13-12-20-18(23)10-11-21-19(24)22-15-6-3-2-4-7-15/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 46413738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).