N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide

C15H22N2O2 — CID 60898504

IUPACN-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(18)17-14-7-5-6-13(10-14)16-11-15(19)8-3-2-4-9-15/h5-7,10,16,19H,2-4,8-9,11H2,1H3,(H,17,18)
InChIKeyWTBBGCLFVDPWDC-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.75
Rot. Bonds4

About N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide

N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide (PubChem CID 60898504) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
PubChem CID60898504
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(18)17-14-7-5-6-13(10-14)16-11-15(19)8-3-2-4-9-15/h5-7,10,16,19H,2-4,8-9,11H2,1H3,(H,17,18)
InChIKeyWTBBGCLFVDPWDC-UHFFFAOYSA-N
XLogP2.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
N-[3-[[1-(cyanomethyl)cyclopropyl]methylamino]phenyl]acetamide
CID 65479559
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
CID 46195405
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
CID 66287095
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide (CID 60898504) is N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCC2(O)CCCCC2)c1.
What is the InChIKey of N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide?
The InChIKey is WTBBGCLFVDPWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(18)17-14-7-5-6-13(10-14)16-11-15(19)8-3-2-4-9-15/h5-7,10,16,19H,2-4,8-9,11H2,1H3,(H,17,18).
What are the key properties of N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide?
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 60898504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).