N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide

C23H30N2O5 — CID 139919251

IUPACN-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESCC(O)C(CO)NC(=O)C(CCCc1ccc(-c2ccccc2)cc1)CC(=O)NO
InChIInChI=1S/C23H30N2O5/c1-16(27)21(15-26)24-23(29)20(14-22(28)25-30)9-5-6-17-10-12-19(13-11-17)18-7-3-2-4-8-18/h2-4,7-8,10-13,16,20-21,26-27,30H,5-6,9,14-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyUZWYDTHHQDDNIG-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.05
Rot. Bonds11

About N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide

N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide (PubChem CID 139919251) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide.

Molecular Properties

Compound NameN-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide
PubChem CID139919251
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC NameN-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide
SMILESCC(O)C(CO)NC(=O)C(CCCc1ccc(-c2ccccc2)cc1)CC(=O)NO
InChIInChI=1S/C23H30N2O5/c1-16(27)21(15-26)24-23(29)20(14-22(28)25-30)9-5-6-17-10-12-19(13-11-17)18-7-3-2-4-8-18/h2-4,7-8,10-13,16,20-21,26-27,30H,5-6,9,14-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyUZWYDTHHQDDNIG-UHFFFAOYSA-N
XLogP2.05
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl]-6-(4-phenylphenyl)hexanoic acid
CID 70183878
N'-hydroxy-N-(2-hydroxycyclohexyl)-2-[3-(4-phenylphenyl)propyl]butanediamide
CID 54175331
2-[3-(3-tert-butyl-4-phenylphenyl)propyl]-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxybutanediamide
CID 127044680
(2R)-N-benzhydryl-2-[3-(4-phenylphenyl)propyl]butanediamide
CID 141017651
N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide
CID 87199529
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
N'-hydroxy-N-[1-[[methoxy(phenyl)methyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-(3-methyl-4-phenylphenyl)propyl]butanediamide
CID 75002250
(2R)-N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-2-[3-[4-(chloromethyl)phenyl]propyl]-N'-hydroxybutanediamide
CID 54075386
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide
CID 87361625
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide
CID 59697972
3-[[1-(tert-butylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-6-phenylhexanoic acid
CID 75018124

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide?
The IUPAC name of N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide (CID 139919251) is N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide.
What is the SMILES notation for N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide?
The canonical SMILES for N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide is CC(O)C(CO)NC(=O)C(CCCc1ccc(-c2ccccc2)cc1)CC(=O)NO.
What is the InChIKey of N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide?
The InChIKey is UZWYDTHHQDDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-16(27)21(15-26)24-23(29)20(14-22(28)25-30)9-5-6-17-10-12-19(13-11-17)18-7-3-2-4-8-18/h2-4,7-8,10-13,16,20-21,26-27,30H,5-6,9,14-15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide?
N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide has a molecular weight of 414.50 g/mol, XLogP of 2.05, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide is sourced from PubChem (CID 139919251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).