methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate

C19H21NO5 — CID 118765531

IUPACmethyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1-c1ccc(C(=O)NC(C)CO)cc1
InChIInChI=1S/C19H21NO5/c1-12(11-21)20-18(22)14-6-4-13(5-7-14)16-9-8-15(24-2)10-17(16)19(23)25-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChIKeyMKANYDHYTMJXDH-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.26
Rot. Bonds6

About methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate

methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate (PubChem CID 118765531) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate
PubChem CID118765531
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1-c1ccc(C(=O)NC(C)CO)cc1
InChIInChI=1S/C19H21NO5/c1-12(11-21)20-18(22)14-6-4-13(5-7-14)16-9-8-15(24-2)10-17(16)19(23)25-3/h4-10,12,21H,11H2,1-3H3,(H,20,22)
InChIKeyMKANYDHYTMJXDH-UHFFFAOYSA-N
XLogP2.26
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]phenyl]-5-methoxybenzoate
CID 126427299
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
methyl 2-[4-(azepane-1-carbonyl)phenyl]-5-methoxybenzoate
CID 118772454
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide
CID 139246796
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
methyl 4-[2-acetyl-4-(4-methoxyphenyl)phenyl]benzoate
CID 146165919

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate?
The IUPAC name of methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate (CID 118765531) is methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate.
What is the SMILES notation for methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate?
The canonical SMILES for methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate is COC(=O)c1cc(OC)ccc1-c1ccc(C(=O)NC(C)CO)cc1.
What is the InChIKey of methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate?
The InChIKey is MKANYDHYTMJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12(11-21)20-18(22)14-6-4-13(5-7-14)16-9-8-15(24-2)10-17(16)19(23)25-3/h4-10,12,21H,11H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate?
methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate is sourced from PubChem (CID 118765531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).