N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide

C14H21NO4 — CID 103604607

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
SMILESCCC(CO)(CO)NC(=O)c1cccc(COC)c1
InChIInChI=1S/C14H21NO4/c1-3-14(9-16,10-17)15-13(18)12-6-4-5-11(7-12)8-19-2/h4-7,16-17H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyBIHJNHNJFJQOKC-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.70
Rot. Bonds7

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide (PubChem CID 103604607) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
PubChem CID103604607
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide
SMILESCCC(CO)(CO)NC(=O)c1cccc(COC)c1
InChIInChI=1S/C14H21NO4/c1-3-14(9-16,10-17)15-13(18)12-6-4-5-11(7-12)8-19-2/h4-7,16-17H,3,8-10H2,1-2H3,(H,15,18)
InChIKeyBIHJNHNJFJQOKC-UHFFFAOYSA-N
XLogP0.70
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-propylbenzamide
CID 60667721
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
N-(3-ethylpentan-3-yl)-3-hydroxybenzamide
CID 65041341
3-(difluoromethoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzamide
CID 103602179
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
1-tert-butyl-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 9425953
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
N-[3-(hydroxymethyl)pentan-3-yl]-3-nitrobenzamide
CID 55082199
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-[3-(hydroxymethyl)pentan-3-yl]-2-(methoxymethyl)benzamide
CID 62519943

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide (CID 103604607) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide is CCC(CO)(CO)NC(=O)c1cccc(COC)c1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide?
The InChIKey is BIHJNHNJFJQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-14(9-16,10-17)15-13(18)12-6-4-5-11(7-12)8-19-2/h4-7,16-17H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide has a molecular weight of 267.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-(methoxymethyl)benzamide is sourced from PubChem (CID 103604607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).