(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide

C19H26N2O4 — CID 100849813

IUPAC(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
SMILESO=C(NC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCO1)[C@@H]1CCCO1
InChIInChI=1S/C19H26N2O4/c22-18(16-8-4-10-24-16)20-13-15(12-14-6-2-1-3-7-14)21-19(23)17-9-5-11-25-17/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,22)(H,21,23)/t15-,16-,17+/m0/s1
InChIKeyCMDYPCLBZNVEKR-YESZJQIVSA-N
MW346.43 g/mol
LogP1.19
Rot. Bonds7

About (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide

(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide (PubChem CID 100849813) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
PubChem CID100849813
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
SMILESO=C(NC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCO1)[C@@H]1CCCO1
InChIInChI=1S/C19H26N2O4/c22-18(16-8-4-10-24-16)20-13-15(12-14-6-2-1-3-7-14)21-19(23)17-9-5-11-25-17/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,22)(H,21,23)/t15-,16-,17+/m0/s1
InChIKeyCMDYPCLBZNVEKR-YESZJQIVSA-N
XLogP1.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid
CID 62213678
(2R)-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 95629116
methyl (2S,3R)-2-benzyl-3-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 129432504
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxolane-2-carboxamide
CID 111112177
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide
CID 55242926
N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
CID 136551315
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
CID 110362898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide (CID 100849813) is (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide is O=C(NC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCO1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide?
The InChIKey is CMDYPCLBZNVEKR-YESZJQIVSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-18(16-8-4-10-24-16)20-13-15(12-14-6-2-1-3-7-14)21-19(23)17-9-5-11-25-17/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,22)(H,21,23)/t15-,16-,17+/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide?
(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide is sourced from PubChem (CID 100849813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).