N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide

C20H23ClN2O3 — CID 55637724

IUPACN-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-15-13-16(21)10-11-18(15)26-12-6-9-20(25)23(2)14-19(24)22-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,24)
InChIKeyFCVWEJUDEZIPOC-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.90
Rot. Bonds8

About N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide

N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide (PubChem CID 55637724) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
PubChem CID55637724
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-15-13-16(21)10-11-18(15)26-12-6-9-20(25)23(2)14-19(24)22-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,24)
InChIKeyFCVWEJUDEZIPOC-UHFFFAOYSA-N
XLogP3.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.90
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-(2-anilino-2-oxoethyl)-4-chloro-N-methylbutanamide
CID 63307722
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
CID 4640199
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)-N-methylbutanamide
CID 38624172
2-[[2-(4-chloro-2-methylphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8501359
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 9019075
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
N-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
4-(2-ethoxyphenoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 7719430
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide (CID 55637724) is N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide is Cc1cc(Cl)ccc1OCCCC(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide?
The InChIKey is FCVWEJUDEZIPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15-13-16(21)10-11-18(15)26-12-6-9-20(25)23(2)14-19(24)22-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide?
N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide has a molecular weight of 374.87 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-4-(4-chloro-2-methylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 55637724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).