N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide

C14H21ClN2O3 — CID 111112543

IUPACN-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(CCO)CCCO
InChIInChI=1S/C14H21ClN2O3/c1-11-12(15)4-2-5-13(11)16-14(20)10-17(7-9-19)6-3-8-18/h2,4-5,18-19H,3,6-10H2,1H3,(H,16,20)
InChIKeySFDLTOUVWPYQOR-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.26
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide (PubChem CID 111112543) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
PubChem CID111112543
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN(CCO)CCCO
InChIInChI=1S/C14H21ClN2O3/c1-11-12(15)4-2-5-13(11)16-14(20)10-17(7-9-19)6-3-8-18/h2,4-5,18-19H,3,6-10H2,1H3,(H,16,20)
InChIKeySFDLTOUVWPYQOR-UHFFFAOYSA-N
XLogP1.26
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112534
2-[butyl(2-hydroxyethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 60689184
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995
N-(2,3-dichlorophenyl)-2-[3-hydroxypropyl(methyl)amino]acetamide
CID 114230839
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110890389
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79275847
N-(3-chloro-2-methylphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464461

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide (CID 111112543) is N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide is Cc1c(Cl)cccc1NC(=O)CN(CCO)CCCO.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
The InChIKey is SFDLTOUVWPYQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-11-12(15)4-2-5-13(11)16-14(20)10-17(7-9-19)6-3-8-18/h2,4-5,18-19H,3,6-10H2,1H3,(H,16,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide has a molecular weight of 300.79 g/mol, XLogP of 1.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 111112543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).