4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide

C16H24N2O2 — CID 114480437

IUPAC4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1(O)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(15(17)19)5-6-14(12)10-18-11-16(20)7-3-2-4-8-16/h5-6,9,18,20H,2-4,7-8,10-11H2,1H3,(H2,17,19)
InChIKeyKQAVLYMQZDQZIQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds5

About 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide

4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide (PubChem CID 114480437) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
PubChem CID114480437
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1(O)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(15(17)19)5-6-14(12)10-18-11-16(20)7-3-2-4-8-16/h5-6,9,18,20H,2-4,7-8,10-11H2,1H3,(H2,17,19)
InChIKeyKQAVLYMQZDQZIQ-UHFFFAOYSA-N
XLogP1.88
TPSA75.35 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 ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-fluoro-3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 107452977
3-chloro-N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 102667284
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide (CID 114480437) is 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNCC1(O)CCCCC1.
What is the InChIKey of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide?
The InChIKey is KQAVLYMQZDQZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(15(17)19)5-6-14(12)10-18-11-16(20)7-3-2-4-8-16/h5-6,9,18,20H,2-4,7-8,10-11H2,1H3,(H2,17,19).
What are the key properties of 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide?
4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).