N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

C18H27N3O3 — CID 8760938

IUPACN-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-21(12-14-8-10-16(24-2)11-9-14)13-17(22)20-18(23)19-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H2,19,20,22,23)
InChIKeyJTHFNLVAQUJZAP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.29
Rot. Bonds6

About N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8760938) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8760938
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27N3O3/c1-21(12-14-8-10-16(24-2)11-9-14)13-17(22)20-18(23)19-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H2,19,20,22,23)
InChIKeyJTHFNLVAQUJZAP-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (CID 8760938) is N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is JTHFNLVAQUJZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-21(12-14-8-10-16(24-2)11-9-14)13-17(22)20-18(23)19-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H2,19,20,22,23).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8760938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).