N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide

C16H22N2O3 — CID 65113599

IUPACN-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)15(20)17-10-14(19)18-11-16(21)8-2-3-9-16/h4-7,21H,2-3,8-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyIRKVDTVNGOXUKD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.15
Rot. Bonds5

About N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 65113599) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
PubChem CID65113599
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2(O)CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)15(20)17-10-14(19)18-11-16(21)8-2-3-9-16/h4-7,21H,2-3,8-11H2,1H3,(H,17,20)(H,18,19)
InChIKeyIRKVDTVNGOXUKD-UHFFFAOYSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
CID 111660763
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110113
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide (CID 65113599) is N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)NCC2(O)CCCC2)cc1.
What is the InChIKey of N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is IRKVDTVNGOXUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-6-13(7-5-12)15(20)17-10-14(19)18-11-16(21)8-2-3-9-16/h4-7,21H,2-3,8-11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 65113599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).