(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide

C20H35N3O3 — CID 66971006

IUPAC(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide
SMILESCCN1C[C@@H](N(C(=O)C2CCCO2)C2CCC(C)(C)CC2)C[C@H]1C(N)=O
InChIInChI=1S/C20H35N3O3/c1-4-22-13-15(12-16(22)18(21)24)23(19(25)17-6-5-11-26-17)14-7-9-20(2,3)10-8-14/h14-17H,4-13H2,1-3H3,(H2,21,24)/t15-,16-,17?/m0/s1
InChIKeyLLZAERZNOASVEF-PYNWJHIZSA-N
MW365.52 g/mol
LogP1.91
Rot. Bonds5

About (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide

(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide (PubChem CID 66971006) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide
PubChem CID66971006
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide
SMILESCCN1C[C@@H](N(C(=O)C2CCCO2)C2CCC(C)(C)CC2)C[C@H]1C(N)=O
InChIInChI=1S/C20H35N3O3/c1-4-22-13-15(12-16(22)18(21)24)23(19(25)17-6-5-11-26-17)14-7-9-20(2,3)10-8-14/h14-17H,4-13H2,1-3H3,(H2,21,24)/t15-,16-,17?/m0/s1
InChIKeyLLZAERZNOASVEF-PYNWJHIZSA-N
XLogP1.91
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide (CID 66971006) is (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide is CCN1C[C@@H](N(C(=O)C2CCCO2)C2CCC(C)(C)CC2)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide?
The InChIKey is LLZAERZNOASVEF-PYNWJHIZSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-4-22-13-15(12-16(22)18(21)24)23(19(25)17-6-5-11-26-17)14-7-9-20(2,3)10-8-14/h14-17H,4-13H2,1-3H3,(H2,21,24)/t15-,16-,17?/m0/s1.
What are the key properties of (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66971006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).