N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

C15H21ClN2O3 — CID 111423108

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H21ClN2O3/c1-4-5-18(6-7-19)10-15(20)17-13-8-11(2)12(16)9-14(13)21-3/h4,8-9,19H,1,5-7,10H2,2-3H3,(H,17,20)
InChIKeyBMCSXANNAHUILS-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.08
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (PubChem CID 111423108) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
PubChem CID111423108
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CCO)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C15H21ClN2O3/c1-4-5-18(6-7-19)10-15(20)17-13-8-11(2)12(16)9-14(13)21-3/h4,8-9,19H,1,5-7,10H2,2-3H3,(H,17,20)
InChIKeyBMCSXANNAHUILS-UHFFFAOYSA-N
XLogP2.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 110881535
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148226
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]acetamide
CID 60563426
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 27202310
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-bromo-2-chlorophenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423143
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111496926
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160948
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide (CID 111423108) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is C=CCN(CCO)CC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
The InChIKey is BMCSXANNAHUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-4-5-18(6-7-19)10-15(20)17-13-8-11(2)12(16)9-14(13)21-3/h4,8-9,19H,1,5-7,10H2,2-3H3,(H,17,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide has a molecular weight of 312.80 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 111423108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).