N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide

C16H24N2O2 — CID 62865493

IUPACN-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13(19)18-15-7-5-14(6-8-15)11-17-12-16(20)9-3-2-4-10-16/h5-8,17,20H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyULFREPFSYJHCOU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds5

About N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide

N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide (PubChem CID 62865493) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
PubChem CID62865493
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC2(O)CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13(19)18-15-7-5-14(6-8-15)11-17-12-16(20)9-3-2-4-10-16/h5-8,17,20H,2-4,9-12H2,1H3,(H,18,19)
InChIKeyULFREPFSYJHCOU-UHFFFAOYSA-N
XLogP2.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
N-[4-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 107267189
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
CID 111114516
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide (CID 62865493) is N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC2(O)CCCCC2)cc1.
What is the InChIKey of N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide?
The InChIKey is ULFREPFSYJHCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(19)18-15-7-5-14(6-8-15)11-17-12-16(20)9-3-2-4-10-16/h5-8,17,20H,2-4,9-12H2,1H3,(H,18,19).
What are the key properties of N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide?
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 62865493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).