N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide

C20H37N3O2 — CID 66971273

IUPACN-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(=O)NC[C@@H]1C[C@H](N(C(=O)C(C)(C)C)C2CCC(C)(C)CC2)CN1
InChIInChI=1S/C20H37N3O2/c1-14(24)21-12-15-11-17(13-22-15)23(18(25)19(2,3)4)16-7-9-20(5,6)10-8-16/h15-17,22H,7-13H2,1-6H3,(H,21,24)/t15-,17-/m0/s1
InChIKeyUQLAHYLUAXLXCJ-RDJZCZTQSA-N
MW351.54 g/mol
LogP2.70
Rot. Bonds4

About N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide

N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide (PubChem CID 66971273) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
PubChem CID66971273
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
SMILESCC(=O)NC[C@@H]1C[C@H](N(C(=O)C(C)(C)C)C2CCC(C)(C)CC2)CN1
InChIInChI=1S/C20H37N3O2/c1-14(24)21-12-15-11-17(13-22-15)23(18(25)19(2,3)4)16-7-9-20(5,6)10-8-16/h15-17,22H,7-13H2,1-6H3,(H,21,24)/t15-,17-/m0/s1
InChIKeyUQLAHYLUAXLXCJ-RDJZCZTQSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide 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

N'-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]-N'-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanediamide
CID 140543695
tert-butyl (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(2,2-dimethylpropanoyl)amino]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66970916
N-(4,4-dimethylcyclohexyl)-N-[(3S,5S)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]acetamide
CID 67356673
N-(1,4,7,10-tetrazacyclododec-2-ylmethyl)acetamide
CID 101060490
N-[(5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(hydroxymethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
CID 24827026
N-[(5R)-5-acetyl-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide
CID 24827122
N-[[(2S,3R,4S)-3,4-dihydroxypyrrolidin-2-yl]methyl]acetamide
CID 131052722
tert-butyl N-[[(2S,4R)-4-(trifluoromethoxy)pyrrolidin-2-yl]methyl]carbamate
CID 175670752
N-(aziridin-2-ylmethyl)-2-methylprop-2-enamide
CID 22238530
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
CID 114290836
1-amino-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 131038227
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
The IUPAC name of N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide (CID 66971273) is N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide is CC(=O)NC[C@@H]1C[C@H](N(C(=O)C(C)(C)C)C2CCC(C)(C)CC2)CN1.
What is the InChIKey of N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
The InChIKey is UQLAHYLUAXLXCJ-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-14(24)21-12-15-11-17(13-22-15)23(18(25)19(2,3)4)16-7-9-20(5,6)10-8-16/h15-17,22H,7-13H2,1-6H3,(H,21,24)/t15-,17-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide?
N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide has a molecular weight of 351.54 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(acetamidomethyl)pyrrolidin-3-yl]-N-(4,4-dimethylcyclohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 66971273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).