2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide

C16H22N2O2 — CID 51728486

IUPAC2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
SMILESO=C(CN(C[C@@H]1CCOC1)C1CC1)Nc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(17-14-4-2-1-3-5-14)11-18(15-6-7-15)10-13-8-9-20-12-13/h1-5,13,15H,6-12H2,(H,17,19)/t13-/m0/s1
InChIKeyPEAGFKNXGPGWOT-ZDUSSCGKSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds6

About 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide

2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide (PubChem CID 51728486) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
PubChem CID51728486
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
SMILESO=C(CN(C[C@@H]1CCOC1)C1CC1)Nc1ccccc1
InChIInChI=1S/C16H22N2O2/c19-16(17-14-4-2-1-3-5-14)11-18(15-6-7-15)10-13-8-9-20-12-13/h1-5,13,15H,6-12H2,(H,17,19)/t13-/m0/s1
InChIKeyPEAGFKNXGPGWOT-ZDUSSCGKSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(oxolan-3-ylmethyl)amino]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 87017037
N-[cyclopentyl(phenyl)methyl]-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 78897244
N-cyclopropyl-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 51080751
N-(4-cyanophenyl)-3-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]propanamide
CID 94816552
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
N-(2-acetamidoethyl)-2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]acetamide
CID 51946798
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
CID 54982622
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
methyl 2-[cyclopentyl(oxolan-3-ylmethyl)amino]acetate
CID 80708077
2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 164663511
2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 98720488
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide (CID 51728486) is 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide is O=C(CN(C[C@@H]1CCOC1)C1CC1)Nc1ccccc1.
What is the InChIKey of 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide?
The InChIKey is PEAGFKNXGPGWOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(17-14-4-2-1-3-5-14)11-18(15-6-7-15)10-13-8-9-20-12-13/h1-5,13,15H,6-12H2,(H,17,19)/t13-/m0/s1.
What are the key properties of 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide?
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide is sourced from PubChem (CID 51728486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).