N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide

C25H30N2O2 — CID 46057030

IUPACN-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESC=CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)C2CCCC2)c1
InChIInChI=1S/C25H30N2O2/c1-3-15-26-24(28)17-21-7-6-10-23(16-21)27(25(29)22-8-4-5-9-22)18-20-13-11-19(2)12-14-20/h3,6-7,10-14,16,22H,1,4-5,8-9,15,17-18H2,2H3,(H,26,28)
InChIKeyQFKDWRKQOARZLO-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.56
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide

N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide (PubChem CID 46057030) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
PubChem CID46057030
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
SMILESC=CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)C2CCCC2)c1
InChIInChI=1S/C25H30N2O2/c1-3-15-26-24(28)17-21-7-6-10-23(16-21)27(25(29)22-8-4-5-9-22)18-20-13-11-19(2)12-14-20/h3,6-7,10-14,16,22H,1,4-5,8-9,15,17-18H2,2H3,(H,26,28)
InChIKeyQFKDWRKQOARZLO-UHFFFAOYSA-N
XLogP4.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide (CID 46057030) is N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide is C=CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)C2CCCC2)c1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide?
The InChIKey is QFKDWRKQOARZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-15-26-24(28)17-21-7-6-10-23(16-21)27(25(29)22-8-4-5-9-22)18-20-13-11-19(2)12-14-20/h3,6-7,10-14,16,22H,1,4-5,8-9,15,17-18H2,2H3,(H,26,28).
What are the key properties of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide?
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 46057030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).