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

C18H29ClN2O2 — CID 19855901

IUPACN-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide
SMILESCCCCCCCN(CC)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H29ClN2O2/c1-4-6-7-8-9-12-21(5-2)14-18(22)20-15-10-11-17(23-3)16(19)13-15/h10-11,13H,4-9,12,14H2,1-3H3,(H,20,22)
InChIKeyNIJHPWXCCWBNPT-UHFFFAOYSA-N
MW340.90 g/mol
LogP4.58
Rot. Bonds11

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

N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide (PubChem CID 19855901) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide
PubChem CID19855901
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide
SMILESCCCCCCCN(CC)CC(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H29ClN2O2/c1-4-6-7-8-9-12-21(5-2)14-18(22)20-15-10-11-17(23-3)16(19)13-15/h10-11,13H,4-9,12,14H2,1-3H3,(H,20,22)
InChIKeyNIJHPWXCCWBNPT-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669592
2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 31477725
N-(3-chloro-4-methoxyphenyl)-N'-ethyl-N'-heptylethane-1,2-diamine
CID 19855895
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
3-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987212
N-(3-chloro-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683803
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-[(3-chloro-4-methoxyphenyl)carbamothioyl]octanamide
CID 4958993
N-(3-chloro-4-methoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822051
tert-butyl N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-N-ethylcarbamate
CID 164573575
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide (CID 19855901) is N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide is CCCCCCCN(CC)CC(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide?
The InChIKey is NIJHPWXCCWBNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O2/c1-4-6-7-8-9-12-21(5-2)14-18(22)20-15-10-11-17(23-3)16(19)13-15/h10-11,13H,4-9,12,14H2,1-3H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide has a molecular weight of 340.90 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[ethyl(heptyl)amino]acetamide is sourced from PubChem (CID 19855901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).