4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide

C21H33N3O3 — CID 134054698

IUPAC4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C21H33N3O3/c1-16(18-12-7-8-13-19(18)27-3)24(2)20(25)14-9-15-22-21(26)23-17-10-5-4-6-11-17/h7-8,12-13,16-17H,4-6,9-11,14-15H2,1-3H3,(H2,22,23,26)
InChIKeyHXDVDIQGKXHYFW-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.63
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide

4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide (PubChem CID 134054698) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
PubChem CID134054698
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C21H33N3O3/c1-16(18-12-7-8-13-19(18)27-3)24(2)20(25)14-9-15-22-21(26)23-17-10-5-4-6-11-17/h7-8,12-13,16-17H,4-6,9-11,14-15H2,1-3H3,(H2,22,23,26)
InChIKeyHXDVDIQGKXHYFW-UHFFFAOYSA-N
XLogP3.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
N-[2-(2-chlorophenoxy)ethyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 18167231
2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
CID 52539243
N-[(2R)-1-cyanopropan-2-yl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 95345784
4-(cyclohexylcarbamoylamino)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 30751994
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
N-[4-(cyclohexylamino)-4-oxobutyl]-2-ethoxybenzamide
CID 51237421
N-[(4-bromophenyl)methyl]-4-(cyclohexylcarbamoylamino)-N-methylbutanamide
CID 134057080
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
CID 113060789
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide (CID 134054698) is 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide is COc1ccccc1C(C)N(C)C(=O)CCCNC(=O)NC1CCCCC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
The InChIKey is HXDVDIQGKXHYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(18-12-7-8-13-19(18)27-3)24(2)20(25)14-9-15-22-21(26)23-17-10-5-4-6-11-17/h7-8,12-13,16-17H,4-6,9-11,14-15H2,1-3H3,(H2,22,23,26).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide?
4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide has a molecular weight of 375.51 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 134054698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).