N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide

C16H24N2O2 — CID 107672133

IUPACN-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C2CCCCC2CN)ccc1O
InChIInChI=1S/C16H24N2O2/c1-11-9-12(7-8-15(11)19)16(20)18(2)14-6-4-3-5-13(14)10-17/h7-9,13-14,19H,3-6,10,17H2,1-2H3
InChIKeySWBGMFBJJNZMBR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide

N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide (PubChem CID 107672133) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
PubChem CID107672133
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C2CCCCC2CN)ccc1O
InChIInChI=1S/C16H24N2O2/c1-11-9-12(7-8-15(11)19)16(20)18(2)14-6-4-3-5-13(14)10-17/h7-9,13-14,19H,3-6,10,17H2,1-2H3
InChIKeySWBGMFBJJNZMBR-UHFFFAOYSA-N
XLogP2.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942
N-(4-aminocyclohexyl)-4-hydroxy-N,3-dimethylbenzamide
CID 107672162
N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
CID 81112557
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154
4-hydroxy-N,N,3-trimethylbenzamide
CID 59263635
N-(2-aminocyclohexyl)-3-methoxy-N,4-dimethylbenzamide
CID 102638874
N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103120887
N-[2-(aminomethyl)cyclohexyl]-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107963621

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide (CID 107672133) is N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)C2CCCCC2CN)ccc1O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide?
The InChIKey is SWBGMFBJJNZMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-12(7-8-15(11)19)16(20)18(2)14-6-4-3-5-13(14)10-17/h7-9,13-14,19H,3-6,10,17H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide?
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide is sourced from PubChem (CID 107672133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).