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

C16H24N2O3 — CID 104783013

IUPAC4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2(O)CCCC(C)C2)ccc1N
InChIInChI=1S/C16H24N2O3/c1-11-4-3-7-16(20,9-11)10-18-15(19)12-5-6-13(17)14(8-12)21-2/h5-6,8,11,20H,3-4,7,9-10,17H2,1-2H3,(H,18,19)
InChIKeyHSEMDFSCISIAPB-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds4

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

4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide (PubChem CID 104783013) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
PubChem CID104783013
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2(O)CCCC(C)C2)ccc1N
InChIInChI=1S/C16H24N2O3/c1-11-4-3-7-16(20,9-11)10-18-15(19)12-5-6-13(17)14(8-12)21-2/h5-6,8,11,20H,3-4,7,9-10,17H2,1-2H3,(H,18,19)
InChIKeyHSEMDFSCISIAPB-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

3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353
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
4-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methoxybenzamide
CID 106099007
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-methoxybenzamide
CID 104783189
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide (CID 104783013) is 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide is COc1cc(C(=O)NCC2(O)CCCC(C)C2)ccc1N.
What is the InChIKey of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide?
The InChIKey is HSEMDFSCISIAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-4-3-7-16(20,9-11)10-18-15(19)12-5-6-13(17)14(8-12)21-2/h5-6,8,11,20H,3-4,7,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide?
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-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 4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 104783013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).