N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide

C15H22N2O3 — CID 110000733

IUPACN-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC(C)(C)CO)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(9-13(19)17-15(2,3)10-18)16-14(20)12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyRTRWNHDFHSYYEZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.08
Rot. Bonds6

About N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide

N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 110000733) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID110000733
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC(C)(C)CO)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-11(9-13(19)17-15(2,3)10-18)16-14(20)12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,16,20)(H,17,19)
InChIKeyRTRWNHDFHSYYEZ-UHFFFAOYSA-N
XLogP1.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-oxopropyl]benzamide
CID 43391483
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
methyl 3-benzamidobutanoate
CID 10857046
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide (CID 110000733) is N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NC(C)(C)CO)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is RTRWNHDFHSYYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(9-13(19)17-15(2,3)10-18)16-14(20)12-7-5-4-6-8-12/h4-8,11,18H,9-10H2,1-3H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 110000733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).