(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide

C19H29NO3 — CID 129471102

IUPAC(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide
SMILESCO[C@](C)(C(=O)NC[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-14(2)17-15(9-8-12-23-17)13-20-18(21)19(3,22-4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17H,8-9,12-13H2,1-4H3,(H,20,21)/t15-,17-,19+/m1/s1
InChIKeyGNSIARWAEKIPGU-SUMDDJOVSA-N
MW319.44 g/mol
LogP3.12
Rot. Bonds6

About (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide

(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide (PubChem CID 129471102) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide
PubChem CID129471102
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide
SMILESCO[C@](C)(C(=O)NC[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-14(2)17-15(9-8-12-23-17)13-20-18(21)19(3,22-4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17H,8-9,12-13H2,1-4H3,(H,20,21)/t15-,17-,19+/m1/s1
InChIKeyGNSIARWAEKIPGU-SUMDDJOVSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide with MolForge

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Related Compounds

1-[(2-methylphenyl)methyl]-3-[(2-propan-2-yloxan-3-yl)methyl]urea
CID 136513367
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399228
2-(5-fluoro-2-methoxyphenyl)-N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399227
2-(5-fluoro-2-methoxyphenyl)-N-[[(2S,3R)-2-propan-2-yloxan-3-yl]methyl]acetamide
CID 129399230
3-[(2-methoxy-2-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 119237712
1-[2-(methylsulfanylmethyl)phenyl]-3-[[(2S,3S)-2-propan-2-yloxan-3-yl]methyl]urea
CID 129398671
2-benzyl-1,1-dimethyl-3-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800046
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
4-amino-N-[(2-propan-2-yloxan-3-yl)methyl]pentanamide;hydrochloride
CID 120564004
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
1-amino-N-[(2-propan-2-yloxan-3-yl)methyl]cyclopropane-1-carboxamide
CID 119819545
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide (CID 129471102) is (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide is CO[C@](C)(C(=O)NC[C@H]1CCCO[C@@H]1C(C)C)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide?
The InChIKey is GNSIARWAEKIPGU-SUMDDJOVSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)17-15(9-8-12-23-17)13-20-18(21)19(3,22-4)16-10-6-5-7-11-16/h5-7,10-11,14-15,17H,8-9,12-13H2,1-4H3,(H,20,21)/t15-,17-,19+/m1/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide?
(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide has a molecular weight of 319.44 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide is sourced from PubChem (CID 129471102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).