N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide

C19H28N2O3 — CID 47058350

IUPACN-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide
SMILESCC(C)OCc1cccc(CNC(=O)CNC(=O)C2CCCC2)c1
InChIInChI=1S/C19H28N2O3/c1-14(2)24-13-16-7-5-6-15(10-16)11-20-18(22)12-21-19(23)17-8-3-4-9-17/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJZUFWOIADURBRH-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.53
Rot. Bonds8

About N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide

N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide (PubChem CID 47058350) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide
PubChem CID47058350
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide
SMILESCC(C)OCc1cccc(CNC(=O)CNC(=O)C2CCCC2)c1
InChIInChI=1S/C19H28N2O3/c1-14(2)24-13-16-7-5-6-15(10-16)11-20-18(22)12-21-19(23)17-8-3-4-9-17/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJZUFWOIADURBRH-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47043917
2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 47058348
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466
N-[4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620669
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 27658957
4-[[[2-(cyclohexanecarbonylamino)acetyl]amino]methyl]benzoic acid
CID 45423811
2-(3,4-dichlorophenoxy)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55797782
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
2-methyl-1-propan-2-yl-3-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111124409

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide (CID 47058350) is N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide is CC(C)OCc1cccc(CNC(=O)CNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide?
The InChIKey is JZUFWOIADURBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)24-13-16-7-5-6-15(10-16)11-20-18(22)12-21-19(23)17-8-3-4-9-17/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide?
N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 47058350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).