(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide

C15H26N2O3 — CID 96524082

IUPAC(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
SMILESNC(=O)C[C@H](NC(=O)C[C@@H]1CCCO1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c16-14(18)10-13(11-5-2-1-3-6-11)17-15(19)9-12-7-4-8-20-12/h11-13H,1-10H2,(H2,16,18)(H,17,19)/t12-,13-/m0/s1
InChIKeyRSENPJJUIRANAD-STQMWFEESA-N
MW282.38 g/mol
LogP1.50
Rot. Bonds6

About (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide

(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide (PubChem CID 96524082) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
PubChem CID96524082
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide
SMILESNC(=O)C[C@H](NC(=O)C[C@@H]1CCCO1)C1CCCCC1
InChIInChI=1S/C15H26N2O3/c16-14(18)10-13(11-5-2-1-3-6-11)17-15(19)9-12-7-4-8-20-12/h11-13H,1-10H2,(H2,16,18)(H,17,19)/t12-,13-/m0/s1
InChIKeyRSENPJJUIRANAD-STQMWFEESA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide with MolForge

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Related Compounds

[[2-(oxolan-2-yl)acetyl]amino]thiourea
CID 65214510
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
3-cyclopropyl-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 81362728
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(oxolan-2-yl)acetamide
CID 77057681
3-[[2-(4-aminophenyl)acetyl]amino]-3-cyclohexylpropanamide
CID 119818622
N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 43357092
(2S)-4-amino-4-oxo-2-[3-(oxolan-2-yl)propanoylamino]butanoic acid
CID 55230932
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
2-(oxolan-2-yl)-N-(1-pyrrolidin-3-ylethyl)acetamide
CID 103977080
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide?
The IUPAC name of (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide (CID 96524082) is (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide.
What is the SMILES notation for (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide?
The canonical SMILES for (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide is NC(=O)C[C@H](NC(=O)C[C@@H]1CCCO1)C1CCCCC1.
What is the InChIKey of (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide?
The InChIKey is RSENPJJUIRANAD-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N2O3/c16-14(18)10-13(11-5-2-1-3-6-11)17-15(19)9-12-7-4-8-20-12/h11-13H,1-10H2,(H2,16,18)(H,17,19)/t12-,13-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide?
(3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide has a molecular weight of 282.38 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]propanamide is sourced from PubChem (CID 96524082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).