N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide

C20H24N2O3 — CID 111334880

IUPACN-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(C)(O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(22-19(24)16-9-5-3-6-10-16)13-18(23)21-14-20(2,25)17-11-7-4-8-12-17/h3-12,15,25H,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBZXJBANDRNBYKS-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.22
Rot. Bonds7

About N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide

N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 111334880) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID111334880
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(C)(O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(22-19(24)16-9-5-3-6-10-16)13-18(23)21-14-20(2,25)17-11-7-4-8-12-17/h3-12,15,25H,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBZXJBANDRNBYKS-UHFFFAOYSA-N
XLogP2.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
CID 110000733
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51195280

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide (CID 111334880) is N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NCC(C)(O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is BZXJBANDRNBYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(22-19(24)16-9-5-3-6-10-16)13-18(23)21-14-20(2,25)17-11-7-4-8-12-17/h3-12,15,25H,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 111334880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).