3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide

C13H18ClNO3 — CID 54875800

IUPAC3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CN(CCO)C(=O)CCCl
InChIInChI=1S/C13H18ClNO3/c1-18-12-5-3-2-4-11(12)10-15(8-9-16)13(17)6-7-14/h2-5,16H,6-10H2,1H3
InChIKeyPLCVDBUKYAGFTM-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.64
Rot. Bonds7

About 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide

3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 54875800) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID54875800
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CN(CCO)C(=O)CCCl
InChIInChI=1S/C13H18ClNO3/c1-18-12-5-3-2-4-11(12)10-15(8-9-16)13(17)6-7-14/h2-5,16H,6-10H2,1H3
InChIKeyPLCVDBUKYAGFTM-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60952867
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950154
2-(tert-butylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78960889
2-[2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569624
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-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79279066
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 60952866
N-(2-hydroxyethyl)-2-indol-1-yl-N-[(2-methoxyphenyl)methyl]acetamide
CID 110907472
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 54875800) is 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CN(CCO)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is PLCVDBUKYAGFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-18-12-5-3-2-4-11(12)10-15(8-9-16)13(17)6-7-14/h2-5,16H,6-10H2,1H3.
What are the key properties of 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide?
3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 271.74 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 54875800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).