N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide

C14H21ClN2O3 — CID 115669592

IUPACN-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-3-17(7-4-8-18)10-14(19)16-11-5-6-13(20-2)12(15)9-11/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyAPJQQFRIZQAEFZ-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.99
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide (PubChem CID 115669592) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
PubChem CID115669592
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H21ClN2O3/c1-3-17(7-4-8-18)10-14(19)16-11-5-6-13(20-2)12(15)9-11/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyAPJQQFRIZQAEFZ-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide
CID 19855901
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 31477725
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate
CID 164573575
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide (CID 115669592) is N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide is CCN(CCCO)CC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
The InChIKey is APJQQFRIZQAEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-17(7-4-8-18)10-14(19)16-11-5-6-13(20-2)12(15)9-11/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide has a molecular weight of 300.79 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 115669592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).