N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C17H26N2O3 — CID 109479000

IUPACN-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCC(CCO)NC(=O)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-4-14(10-11-20)18-17(22)15(12(2)3)19-16(21)13-8-6-5-7-9-13/h5-9,12,14-15,20H,4,10-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyWHCZFFWKQIURTN-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.72
Rot. Bonds8

About N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 109479000) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID109479000
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCC(CCO)NC(=O)C(NC(=O)c1ccccc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-4-14(10-11-20)18-17(22)15(12(2)3)19-16(21)13-8-6-5-7-9-13/h5-9,12,14-15,20H,4,10-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyWHCZFFWKQIURTN-UHFFFAOYSA-N
XLogP1.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
[(1S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-1-phenylethyl]-dimethylazanium
CID 2117468
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
2,6-difluoro-N-[3-methyl-1-oxo-1-(pentan-3-ylamino)butan-2-yl]benzamide
CID 46561548
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
2-[[(2S)-2-[[(2S)-2-benzamidopropanoyl]amino]-3-methylbutanoyl]amino]acetic acid
CID 54198703

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 109479000) is N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCC(CCO)NC(=O)C(NC(=O)c1ccccc1)C(C)C.
What is the InChIKey of N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is WHCZFFWKQIURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-14(10-11-20)18-17(22)15(12(2)3)19-16(21)13-8-6-5-7-9-13/h5-9,12,14-15,20H,4,10-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 109479000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).