(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide

C15H21N3O3 — CID 95767130

IUPAC(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
SMILESC[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-11(14(19)18-12-6-3-2-4-7-12)17-15(20)16-10-13-8-5-9-21-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,18,19)(H2,16,17,20)/t11-,13+/m1/s1
InChIKeyKHBBAXUILDTJQK-YPMHNXCESA-N
MW291.35 g/mol
LogP1.49
Rot. Bonds5

About (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide

(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide (PubChem CID 95767130) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
PubChem CID95767130
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
SMILESC[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O3/c1-11(14(19)18-12-6-3-2-4-7-12)17-15(20)16-10-13-8-5-9-21-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,18,19)(H2,16,17,20)/t11-,13+/m1/s1
InChIKeyKHBBAXUILDTJQK-YPMHNXCESA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617283
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
benzyl N-[(2S)-3-methyl-1-oxo-1-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]butan-2-yl]carbamate
CID 55934824
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
CID 51455340
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide?
The IUPAC name of (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide (CID 95767130) is (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide is C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide?
The InChIKey is KHBBAXUILDTJQK-YPMHNXCESA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(14(19)18-12-6-3-2-4-7-12)17-15(20)16-10-13-8-5-9-21-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,18,19)(H2,16,17,20)/t11-,13+/m1/s1.
What are the key properties of (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide?
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide is sourced from PubChem (CID 95767130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).