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

C25H32N2O4 — CID 4070898

IUPACN,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(=O)NC(CO)Cc1ccccc1)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C25H32N2O4/c1-2-9-21(25(31)27-23(18-29)15-20-12-7-4-8-13-20)16-24(30)26-22(17-28)14-19-10-5-3-6-11-19/h2-8,10-13,21-23,28-29H,1,9,14-18H2,(H,26,30)(H,27,31)
InChIKeyNWHGCMSNIJEMTJ-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.01
Rot. Bonds13

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

N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide (PubChem CID 4070898) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide.

Molecular Properties

Compound NameN,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
PubChem CID4070898
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
SMILESC=CCC(CC(=O)NC(CO)Cc1ccccc1)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C25H32N2O4/c1-2-9-21(25(31)27-23(18-29)15-20-12-7-4-8-13-20)16-24(30)26-22(17-28)14-19-10-5-3-6-11-19/h2-8,10-13,21-23,28-29H,1,9,14-18H2,(H,26,30)(H,27,31)
InChIKeyNWHGCMSNIJEMTJ-UHFFFAOYSA-N
XLogP2.01
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 52.01
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

N-(2-hydroxy-1-phenylethyl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
CID 4178309
(2R)-N-[(1R)-2-hydroxy-1-phenylethyl]-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-prop-2-enylbutanediamide
CID 6607488
[2-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]-3-phenylpropyl] 2-benzylpent-4-enoate
CID 4248548
[(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-[[(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-[[(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
N-(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)-N'-(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
CID 4188978
N'-[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]-N-(1-hydroxypropan-2-yl)-2-prop-2-enylbutanediamide
CID 5086452
(2S)-N-(2-hydroxyethyl)-N'-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-prop-2-enylbutanediamide
CID 122412442
2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]ethyl pent-4-enoate
CID 6605307
[(2S)-3-cyclohexyl-2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]propyl] (2R)-2-benzylpent-4-enoate
CID 6605370
[(2S)-2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-methylbutyl] pent-4-enoate
CID 6605939

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
The IUPAC name of N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide (CID 4070898) is N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide.
What is the SMILES notation for N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
The canonical SMILES for N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide is C=CCC(CC(=O)NC(CO)Cc1ccccc1)C(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
The InChIKey is NWHGCMSNIJEMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-2-9-21(25(31)27-23(18-29)15-20-12-7-4-8-13-20)16-24(30)26-22(17-28)14-19-10-5-3-6-11-19/h2-8,10-13,21-23,28-29H,1,9,14-18H2,(H,26,30)(H,27,31).
What are the key properties of N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide?
N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide has a molecular weight of 424.54 g/mol, XLogP of 2.01, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide is sourced from PubChem (CID 4070898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).