N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide

C15H21NO2 — CID 6470798

IUPACN-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11(13-8-5-9-14(10-13)18-2)16-15(17)12-6-3-4-7-12/h5,8-12H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyDQOATNUCXVMNEJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide

N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide (PubChem CID 6470798) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide
PubChem CID6470798
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide
SMILESCOc1cccc(C(C)NC(=O)C2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11(13-8-5-9-14(10-13)18-2)16-15(17)12-6-3-4-7-12/h5,8-12H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyDQOATNUCXVMNEJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 52911279
CID 52911279
CID 71765531
CID 71765531
CID 73346043
CID 73346043
CID 3489372
CID 3489372
CID 10750842
CID 10750842
CID 795936
CID 795936
CID 2877039
CID 2877039
CID 4839545
CID 4839545
CID 1769471
CID 1769471
CID 10104923
CID 10104923
CID 11502240
CID 11502240
CID 11107609
CID 11107609

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide (CID 6470798) is N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide is COc1cccc(C(C)NC(=O)C2CCCC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide?
The InChIKey is DQOATNUCXVMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(13-8-5-9-14(10-13)18-2)16-15(17)12-6-3-4-7-12/h5,8-12H,3-4,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide?
N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 6470798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).