N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide

C13H19NO4 — CID 138015024

IUPACN-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(C)C(=O)NOCC(C)O)c1
InChIInChI=1S/C13H19NO4/c1-9(15)8-18-14-13(16)10(2)11-5-4-6-12(7-11)17-3/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyDVPMBTBNSXPFSL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.23
Rot. Bonds6

About N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide

N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide (PubChem CID 138015024) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
PubChem CID138015024
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(C(C)C(=O)NOCC(C)O)c1
InChIInChI=1S/C13H19NO4/c1-9(15)8-18-14-13(16)10(2)11-5-4-6-12(7-11)17-3/h4-7,9-10,15H,8H2,1-3H3,(H,14,16)
InChIKeyDVPMBTBNSXPFSL-UHFFFAOYSA-N
XLogP1.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide
CID 119606161
N-ethoxy-2-(3-phenoxyphenyl)propanamide
CID 46190731
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-methoxyphenyl)propanamide;hydrochloride
CID 119606160
(2S)-2-hydroxy-2-(3-methoxyphenyl)acetohydrazide
CID 124673307
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
2-(3-methoxyphenyl)-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)propanamide
CID 138015020
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
2-(3-methoxyphenyl)hexan-3-one
CID 83047977
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027
(2R)-N-[bis(2-methoxyphenyl)methyl]-2-(3-methoxyphenyl)propanamide
CID 175077075

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide (CID 138015024) is N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide is COc1cccc(C(C)C(=O)NOCC(C)O)c1.
What is the InChIKey of N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide?
The InChIKey is DVPMBTBNSXPFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(15)8-18-14-13(16)10(2)11-5-4-6-12(7-11)17-3/h4-7,9-10,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide?
N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide has a molecular weight of 253.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropoxy)-2-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 138015024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).