(2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide

C18H26N2O4 — CID 6607558

IUPAC(2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](CC(=O)N[C@H](C)CO)C(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-3-7-15(10-17(23)20-13(2)12-21)18(24)19-11-16(22)14-8-5-4-6-9-14/h3-6,8-9,13,15-16,21-22H,1,7,10-12H2,2H3,(H,19,24)(H,20,23)/t13-,15-,16+/m1/s1
InChIKeyYXKMGYAZCZLBDI-BMFZPTHFSA-N
MW334.42 g/mol
LogP0.92
Rot. Bonds10

About (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide

(2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide (PubChem CID 6607558) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
PubChem CID6607558
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
SMILESC=CC[C@H](CC(=O)N[C@H](C)CO)C(=O)NC[C@H](O)c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-3-7-15(10-17(23)20-13(2)12-21)18(24)19-11-16(22)14-8-5-4-6-9-14/h3-6,8-9,13,15-16,21-22H,1,7,10-12H2,2H3,(H,19,24)(H,20,23)/t13-,15-,16+/m1/s1
InChIKeyYXKMGYAZCZLBDI-BMFZPTHFSA-N
XLogP0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]-1-phenylethyl] 2-benzylpent-4-enoate
CID 4178311
N'-[2-(2-hydroxyethoxy)ethyl]-N-(2-hydroxy-2-phenylethyl)-2-prop-2-enylbutanediamide
CID 3635683
1-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]propan-2-yl 2-benzylhept-6-enoate
CID 3532629
[(2S)-2-[[(2R)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] (2R)-2-benzylhex-5-enoate
CID 6605688
(2R)-N'-benzyl-N'-(2-hydroxyethyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-prop-2-enylbutanediamide
CID 6607428
[(1S,2S)-2-[[(2S)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-methoxy-1-phenylpropyl] (2S)-2-benzylpent-4-enoate
CID 135961069
(2S)-2-[(4-chlorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]pent-4-enamide
CID 118867192
(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
CID 6605553
N'-[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]-N-(2-hydroxypropyl)-2-prop-2-enylbutanediamide
CID 3432302
[2-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]-3-oxo-3-phenylmethoxypropyl] 2-benzylhex-5-enoate
CID 5014976
benzyl N-[6-hydroxy-5-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]hexyl]carbamate
CID 5064008
[(1S,2S)-2-[[(2R)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-methoxy-1-phenylpropyl] (2R)-2-benzylhex-5-enoate
CID 6607179

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
The IUPAC name of (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide (CID 6607558) is (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide.
What is the SMILES notation for (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
The canonical SMILES for (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide is C=CC[C@H](CC(=O)N[C@H](C)CO)C(=O)NC[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
The InChIKey is YXKMGYAZCZLBDI-BMFZPTHFSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-7-15(10-17(23)20-13(2)12-21)18(24)19-11-16(22)14-8-5-4-6-9-14/h3-6,8-9,13,15-16,21-22H,1,7,10-12H2,2H3,(H,19,24)(H,20,23)/t13-,15-,16+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide?
(2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide has a molecular weight of 334.42 g/mol, XLogP of 0.92, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide is sourced from PubChem (CID 6607558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).