N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

C15H22N2O3 — CID 70719311

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C(N)=O
InChIInChI=1S/C15H22N2O3/c1-10(13(16)18)17-14(19)12-6-4-5-11(9-12)7-8-15(2,3)20/h4-6,9-10,20H,7-8H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyDNAHYJNXXDURTA-JTQLQIEISA-N
MW278.35 g/mol
LogP0.99
Rot. Bonds6

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 70719311) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID70719311
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESC[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C(N)=O
InChIInChI=1S/C15H22N2O3/c1-10(13(16)18)17-14(19)12-6-4-5-11(9-12)7-8-15(2,3)20/h4-6,9-10,20H,7-8H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1
InChIKeyDNAHYJNXXDURTA-JTQLQIEISA-N
XLogP0.99
TPSA92.42 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 ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(2-hydroxyphenyl)ethyl]benzamide
CID 95873504
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]benzoic acid
CID 43545835
3-(3-hydroxy-3-methylbutyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 95894287
N-(1-carbamoylcyclopentyl)-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70749423
3-(3-hydroxy-3-methylbutyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 70740347
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
3-(3-hydroxy-3-methylbutyl)-N-[(3S,4S)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 70719123
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70747598

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (CID 70719311) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is DNAHYJNXXDURTA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(13(16)18)17-14(19)12-6-4-5-11(9-12)7-8-15(2,3)20/h4-6,9-10,20H,7-8H2,1-3H3,(H2,16,18)(H,17,19)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 70719311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).