3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide

C26H41N3O3 — CID 87567220

IUPAC3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide
SMILESCCC[C@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2ccc(O)c(C(C)(C)C)c2)C1=O
InChIInChI=1S/C26H41N3O3/c1-7-8-17-15-19(28(5)6)10-11-22(17)29-14-13-21(25(29)32)27-24(31)18-9-12-23(30)20(16-18)26(2,3)4/h9,12,16-17,19,21-22,30H,7-8,10-11,13-15H2,1-6H3,(H,27,31)/t17-,19+,21-,22-/m0/s1
InChIKeyZAYUWNOQQYDPBS-TZEULACYSA-N
MW443.63 g/mol
LogP3.92
Rot. Bonds6

About 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide

3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide (PubChem CID 87567220) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide
PubChem CID87567220
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Name3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide
SMILESCCC[C@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2ccc(O)c(C(C)(C)C)c2)C1=O
InChIInChI=1S/C26H41N3O3/c1-7-8-17-15-19(28(5)6)10-11-22(17)29-14-13-21(25(29)32)27-24(31)18-9-12-23(30)20(16-18)26(2,3)4/h9,12,16-17,19,21-22,30H,7-8,10-11,13-15H2,1-6H3,(H,27,31)/t17-,19+,21-,22-/m0/s1
InChIKeyZAYUWNOQQYDPBS-TZEULACYSA-N
XLogP3.92
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]benzamide
CID 68765937
3-tert-butyl-N-[(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-5-(2H-tetrazol-5-yl)benzamide
CID 68765581
2-tert-butyl-N-[1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]pyrimidine-4-carboxamide
CID 68767195
N-[(3S)-1-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3-tert-butylbenzamide
CID 69034599
2-(ethylcarbamoylamino)-N-[(3S)-1-[(1S,2S,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 68767050
N-[(3S)-1-[(1S,2R,4R)-2-(tert-butylsulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 68988296
(3S)-1-[(1S,2R,4R)-4-(dimethylamino)-2-propylcyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 68764890
(3S)-1-[(1S,2R)-4-(dimethylamino)-2-propylcyclohexyl]-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-2-one
CID 42606673
[(1R,3R,4S)-3-(benzenesulfonylmethyl)-4-[(3S)-2-oxo-3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidin-1-yl]cyclohexyl]-methylcarbamic acid
CID 69039154
N-[1-[(1S,2S,4R)-2-(1-hydroxypropyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 68765647
3-tert-butyl-4-hydroxy-N-[2-[[(1S,2R,4R)-2-(methoxymethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]amino]-2-oxoethyl]benzamide
CID 87766638
6-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-[methyl(propan-2-yl)amino]-2-(methylsulfonylmethyl)cyclohexyl]-2-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 68767806

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide?
The IUPAC name of 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide (CID 87567220) is 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide?
The canonical SMILES for 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide is CCC[C@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2ccc(O)c(C(C)(C)C)c2)C1=O.
What is the InChIKey of 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide?
The InChIKey is ZAYUWNOQQYDPBS-TZEULACYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-7-8-17-15-19(28(5)6)10-11-22(17)29-14-13-21(25(29)32)27-24(31)18-9-12-23(30)20(16-18)26(2,3)4/h9,12,16-17,19,21-22,30H,7-8,10-11,13-15H2,1-6H3,(H,27,31)/t17-,19+,21-,22-/m0/s1.
What are the key properties of 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide?
3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide has a molecular weight of 443.63 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[(3S)-1-[(1S,2S,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide is sourced from PubChem (CID 87567220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).