N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide

C14H21NO6 — CID 107847342

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(CO)(CO)CO)cc(OC)c1C
InChIInChI=1S/C14H21NO6/c1-9-11(20-2)4-10(5-12(9)21-3)13(19)15-14(6-16,7-17)8-18/h4-5,16-18H,6-8H2,1-3H3,(H,15,19)
InChIKeyYIPFPLDPJALJSA-UHFFFAOYSA-N
MW299.32 g/mol
LogP-0.54
Rot. Bonds7

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 107847342) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID107847342
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(CO)(CO)CO)cc(OC)c1C
InChIInChI=1S/C14H21NO6/c1-9-11(20-2)4-10(5-12(9)21-3)13(19)15-14(6-16,7-17)8-18/h4-5,16-18H,6-8H2,1-3H3,(H,15,19)
InChIKeyYIPFPLDPJALJSA-UHFFFAOYSA-N
XLogP-0.54
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-N,3-N,5-N-tris[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzene-1,3,5-tricarboxamide
CID 10768267
2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid
CID 61261520
N-ethoxy-3,5-dimethoxy-4-methylbenzamide
CID 52555843
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119575855
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
CID 30600070
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-3-carboxamide
CID 107845649
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide (CID 107847342) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NC(CO)(CO)CO)cc(OC)c1C.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is YIPFPLDPJALJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO6/c1-9-11(20-2)4-10(5-12(9)21-3)13(19)15-14(6-16,7-17)8-18/h4-5,16-18H,6-8H2,1-3H3,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 299.32 g/mol, XLogP of -0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 107847342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).