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

C18H28N2O3 — CID 111480028

IUPACN-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(O)CC(C)(C)CNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-13(20-17(23)15-8-6-5-7-9-15)10-16(22)19-12-18(3,4)11-14(2)21/h5-9,13-14,21H,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWKQFQSZROFDOAQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.11
Rot. Bonds8

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

N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide (PubChem CID 111480028) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
PubChem CID111480028
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
SMILESCC(O)CC(C)(C)CNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-13(20-17(23)15-8-6-5-7-9-15)10-16(22)19-12-18(3,4)11-14(2)21/h5-9,13-14,21H,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyWKQFQSZROFDOAQ-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032
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
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
2-[benzyl(methyl)amino]-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480691
methyl 3-(3-benzamidobutanoylamino)propanoate
CID 134049234
(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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide (CID 111480028) is N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide is CC(O)CC(C)(C)CNC(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is WKQFQSZROFDOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(20-17(23)15-8-6-5-7-9-15)10-16(22)19-12-18(3,4)11-14(2)21/h5-9,13-14,21H,10-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide?
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 111480028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).