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

C20H35N3O3 — CID 66971009

IUPAC(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N(C(=O)C2CCCO2)C2CCC(C)(C)CC2)CN1
InChIInChI=1S/C20H35N3O3/c1-4-21-18(24)16-12-15(13-22-16)23(19(25)17-6-5-11-26-17)14-7-9-20(2,3)10-8-14/h14-17,22H,4-13H2,1-3H3,(H,21,24)/t15-,16-,17?/m0/s1
InChIKeyYZWGUOGNCIOOKU-PYNWJHIZSA-N
MW365.52 g/mol
LogP1.83
Rot. Bonds5

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

(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 66971009) 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]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide
PubChem CID66971009
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](N(C(=O)C2CCCO2)C2CCC(C)(C)CC2)CN1
InChIInChI=1S/C20H35N3O3/c1-4-21-18(24)16-12-15(13-22-16)23(19(25)17-6-5-11-26-17)14-7-9-20(2,3)10-8-14/h14-17,22H,4-13H2,1-3H3,(H,21,24)/t15-,16-,17?/m0/s1
InChIKeyYZWGUOGNCIOOKU-PYNWJHIZSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.83
H-Bond Donors ≤ 52
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]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide (CID 66971009) is (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](N(C(=O)C2CCCO2)C2CCC(C)(C)CC2)CN1.
What is the InChIKey of (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is YZWGUOGNCIOOKU-PYNWJHIZSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-4-21-18(24)16-12-15(13-22-16)23(19(25)17-6-5-11-26-17)14-7-9-20(2,3)10-8-14/h14-17,22H,4-13H2,1-3H3,(H,21,24)/t15-,16-,17?/m0/s1.
What are the key properties of (2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 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]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66971009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).