3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide

C20H30FN3O3 — CID 18152378

IUPAC3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C20H30FN3O3/c1-3-24(14-15-9-10-18(27-2)17(21)13-15)19(25)11-12-22-20(26)23-16-7-5-4-6-8-16/h9-10,13,16H,3-8,11-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyCRXVHDCHWJENDZ-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.20
Rot. Bonds8

About 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide

3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide (PubChem CID 18152378) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
PubChem CID18152378
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Name3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C20H30FN3O3/c1-3-24(14-15-9-10-18(27-2)17(21)13-15)19(25)11-12-22-20(26)23-16-7-5-4-6-8-16/h9-10,13,16H,3-8,11-12,14H2,1-2H3,(H2,22,23,26)
InChIKeyCRXVHDCHWJENDZ-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8909798
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808185
1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
5-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanamide
CID 82013913
[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134060945
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide (CID 18152378) is 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
The InChIKey is CRXVHDCHWJENDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-3-24(14-15-9-10-18(27-2)17(21)13-15)19(25)11-12-22-20(26)23-16-7-5-4-6-8-16/h9-10,13,16H,3-8,11-12,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide has a molecular weight of 379.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 18152378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).