N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

C18H27N3O2 — CID 18158963

IUPACN-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-8-10-15(11-9-14)12-19-18(23)20-13-17(22)21-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyYPTWBGPWVYEUPV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.63
Rot. Bonds5

About N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 18158963) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID18158963
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-8-10-15(11-9-14)12-19-18(23)20-13-17(22)21-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,21,22)(H2,19,20,23)
InChIKeyYPTWBGPWVYEUPV-UHFFFAOYSA-N
XLogP2.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (CID 18158963) is N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is Cc1ccc(CNC(=O)NCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is YPTWBGPWVYEUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-8-10-15(11-9-14)12-19-18(23)20-13-17(22)21-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 18158963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).