N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide

C24H30N2O4 — CID 4178309

IUPACN-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(=O)NC(CO)Cc1ccccc1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-2-9-20(24(30)26-22(17-28)19-12-7-4-8-13-19)15-23(29)25-21(16-27)14-18-10-5-3-6-11-18/h2-8,10-13,20-22,27-28H,1,9,14-17H2,(H,25,29)(H,26,30)
InChIKeyFZDMYKPWFZWCEM-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.14
Rot. Bonds12

About N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide

N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide (PubChem CID 4178309) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
PubChem CID4178309
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(=O)NC(CO)Cc1ccccc1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-2-9-20(24(30)26-22(17-28)19-12-7-4-8-13-19)15-23(29)25-21(16-27)14-18-10-5-3-6-11-18/h2-8,10-13,20-22,27-28H,1,9,14-17H2,(H,25,29)(H,26,30)
InChIKeyFZDMYKPWFZWCEM-UHFFFAOYSA-N
XLogP2.14
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.14
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

(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-prop-2-enylbutanediamide
CID 6607488
N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
CID 4070898
[(2R)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] (2R)-2-benzylpent-4-enoate
CID 135739296
[(2R)-2-[[(2S)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] hept-6-enoate
CID 122406209
[2-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]-2-phenylethyl] 2-benzylhept-6-enoate
CID 3700996
[2-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]-3-phenylpropyl] 2-benzylpent-4-enoate
CID 4248548
[(2S)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] (2S)-2-benzylpent-4-enoate
CID 122405014
N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
CID 4188978
[(2R)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] (2R)-2-benzylhex-5-enoate
CID 122407991
[(2R)-2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-phenylpropyl] (2R)-2-benzylhex-5-enoate
CID 6607296
[(2R)-2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-oxo-3-phenylmethoxypropyl] (2S)-2-benzylpent-4-enoate
CID 6605857
[(1S,2S)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-methoxy-1-phenylpropyl] (2R)-2-benzylpent-4-enoate
CID 135961085

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide (CID 4178309) is N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide is C=CCC(CC(=O)NC(CO)Cc1ccccc1)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
The InChIKey is FZDMYKPWFZWCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-2-9-20(24(30)26-22(17-28)19-12-7-4-8-13-19)15-23(29)25-21(16-27)14-18-10-5-3-6-11-18/h2-8,10-13,20-22,27-28H,1,9,14-17H2,(H,25,29)(H,26,30).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide has a molecular weight of 410.51 g/mol, XLogP of 2.14, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide is sourced from PubChem (CID 4178309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).