3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide

C17H26N2O2 — CID 70683139

IUPAC3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C17H26N2O2/c1-16(2)8-14(20)9-17(3,10-16)11-19-13-6-4-5-12(7-13)15(18)21/h4-7,14,19-20H,8-11H2,1-3H3,(H2,18,21)/t14-,17-/m0/s1
InChIKeyANNUATBROALFOB-YOEHRIQHSA-N
MW290.41 g/mol
LogP2.77
Rot. Bonds4

About 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide

3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide (PubChem CID 70683139) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide
PubChem CID70683139
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C17H26N2O2/c1-16(2)8-14(20)9-17(3,10-16)11-19-13-6-4-5-12(7-13)15(18)21/h4-7,14,19-20H,8-11H2,1-3H3,(H2,18,21)/t14-,17-/m0/s1
InChIKeyANNUATBROALFOB-YOEHRIQHSA-N
XLogP2.77
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Hydroxycyclohexyl)amino]-5-(5-methylhex-1-ynyl)benzamide
CID 141518945
5-(3,3-Dimethylbut-1-ynyl)-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 141518949
5-Hex-1-ynyl-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 141518952
3-benzamido-N-(3-propan-2-yloxypropyl)benzamide
CID 2971871
3-acetamido-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]benzamide
CID 71716402
3-(dimethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]benzamide
CID 71716403
2-[(4-Hydroxycyclohexyl)amino]-5-(3-methylbut-1-ynyl)benzamide
CID 166626815
2-[(4-Hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide
CID 166633566
4-[4-[[3-(Methylamino)benzoyl]amino]phenyl]butanoic acid
CID 10757480
3-(dimethylamino)-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 45884938
3-(butyrylamino)-N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]benzamide
CID 47000341
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-[(propan-2-yl)amino]benzamide
CID 71850252

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide?
The IUPAC name of 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide (CID 70683139) is 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide.
What is the SMILES notation for 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide?
The canonical SMILES for 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide is CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide?
The InChIKey is ANNUATBROALFOB-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2)8-14(20)9-17(3,10-16)11-19-13-6-4-5-12(7-13)15(18)21/h4-7,14,19-20H,8-11H2,1-3H3,(H2,18,21)/t14-,17-/m0/s1.
What are the key properties of 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide?
3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide is sourced from PubChem (CID 70683139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).