3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

C14H20N2O4 — CID 115674974

IUPAC3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCC(C)C)cc1O
InChIInChI=1S/C14H20N2O4/c1-9(2)7-15-13(18)8-16-14(19)10-4-5-12(20-3)11(17)6-10/h4-6,9,17H,7-8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyBOZFYDSTHLMPDD-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.90
Rot. Bonds6

About 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide

3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (PubChem CID 115674974) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
PubChem CID115674974
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCC(C)C)cc1O
InChIInChI=1S/C14H20N2O4/c1-9(2)7-15-13(18)8-16-14(19)10-4-5-12(20-3)11(17)6-10/h4-6,9,17H,7-8H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyBOZFYDSTHLMPDD-UHFFFAOYSA-N
XLogP0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 107157421
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
2-hydroxy-3-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115598366
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
3-amino-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 43567615

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide (CID 115674974) is 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)NCC(C)C)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
The InChIKey is BOZFYDSTHLMPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)7-15-13(18)8-16-14(19)10-4-5-12(20-3)11(17)6-10/h4-6,9,17H,7-8H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide?
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide has a molecular weight of 280.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 115674974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).