N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

C20H29NO2 — CID 95882818

IUPACN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1
InChIInChI=1S/C20H29NO2/c1-15(17-7-5-4-6-8-17)21-19(22)18-11-9-16(10-12-18)13-14-20(2,3)23/h7,9-12,15,23H,4-6,8,13-14H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyOQDPSEVZWFMGCM-OAHLLOKOSA-N
MW315.46 g/mol
LogP4.01
Rot. Bonds6

About N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 95882818) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID95882818
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1
InChIInChI=1S/C20H29NO2/c1-15(17-7-5-4-6-8-17)21-19(22)18-11-9-16(10-12-18)13-14-20(2,3)23/h7,9-12,15,23H,4-6,8,13-14H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyOQDPSEVZWFMGCM-OAHLLOKOSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-hydroxy-3-methylbutyl)-N-[1-(4-hydroxyphenyl)ethyl]benzamide
CID 70724944
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-hydroxyphenyl)ethyl]benzamide
CID 70723779
4-(3-hydroxy-3-methylbutyl)-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 95897881
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[(1R)-1-(3-fluoro-4-hydroxyphenyl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95870855
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 56894427
4-(3-hydroxy-3-methylbutyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 95860893
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70759937
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95872440
6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 126439353
N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
CID 118765933
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide (CID 95882818) is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)C1=CCCCC1.
What is the InChIKey of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is OQDPSEVZWFMGCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H29NO2/c1-15(17-7-5-4-6-8-17)21-19(22)18-11-9-16(10-12-18)13-14-20(2,3)23/h7,9-12,15,23H,4-6,8,13-14H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide?
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 315.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 95882818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).