3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide

C16H24N2O3 — CID 65117353

IUPAC3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(O)CCCC(C)C2)cc1N
InChIInChI=1S/C16H24N2O3/c1-11-4-3-7-16(20,9-11)10-18-15(19)12-5-6-14(21-2)13(17)8-12/h5-6,8,11,20H,3-4,7,9-10,17H2,1-2H3,(H,18,19)
InChIKeyYEBYUHVZMIOBFI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds4

About 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide

3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide (PubChem CID 65117353) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
PubChem CID65117353
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC2(O)CCCC(C)C2)cc1N
InChIInChI=1S/C16H24N2O3/c1-11-4-3-7-16(20,9-11)10-18-15(19)12-5-6-14(21-2)13(17)8-12/h5-6,8,11,20H,3-4,7,9-10,17H2,1-2H3,(H,18,19)
InChIKeyYEBYUHVZMIOBFI-UHFFFAOYSA-N
XLogP1.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
3-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 103965168
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide (CID 65117353) is 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC2(O)CCCC(C)C2)cc1N.
What is the InChIKey of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide?
The InChIKey is YEBYUHVZMIOBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-4-3-7-16(20,9-11)10-18-15(19)12-5-6-14(21-2)13(17)8-12/h5-6,8,11,20H,3-4,7,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide?
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 65117353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).