N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide

C13H19NO3 — CID 167927105

IUPACN-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCCO)C(C)=O
InChIInChI=1S/C13H19NO3/c1-11(16)14(8-5-9-15)10-12-6-3-4-7-13(12)17-2/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeySGMFWAZNHHTDAU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds6

About N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide

N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 167927105) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID167927105
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CN(CCCO)C(C)=O
InChIInChI=1S/C13H19NO3/c1-11(16)14(8-5-9-15)10-12-6-3-4-7-13(12)17-2/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeySGMFWAZNHHTDAU-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
N-[2-(dimethylsulfamoylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054972
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
2-hydroxyethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 79345926
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 54875824
N-[2-(butylsulfonylamino)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113054971
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 70768798
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 97145385
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54875800
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 167927105) is N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CN(CCCO)C(C)=O.
What is the InChIKey of N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is SGMFWAZNHHTDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11(16)14(8-5-9-15)10-12-6-3-4-7-13(12)17-2/h3-4,6-7,15H,5,8-10H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide?
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 167927105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).