4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide

C16H24N2O2 — CID 103965180

IUPAC4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(17)5-6-14(12)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20)
InChIKeyCPGZFNUKVHVMMC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.25
Rot. Bonds4

About 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide

4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide (PubChem CID 103965180) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
PubChem CID103965180
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-9-13(17)5-6-14(12)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20)
InChIKeyCPGZFNUKVHVMMC-UHFFFAOYSA-N
XLogP2.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 115357784
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
5-amino-2-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357739
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-5-sulfanylbenzamide
CID 107034278
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpyridine-3-carboxamide
CID 115357766
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
5-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzamide
CID 113294009
3-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115993853
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 115701312

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide?
The IUPAC name of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide (CID 103965180) is 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide?
The canonical SMILES for 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide is Cc1cc(N)ccc1C(=O)NCC1(CO)CCCCC1.
What is the InChIKey of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide?
The InChIKey is CPGZFNUKVHVMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-13(17)5-6-14(12)15(20)18-10-16(11-19)7-3-2-4-8-16/h5-6,9,19H,2-4,7-8,10-11,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide?
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 103965180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).