N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide

C20H25ClN2O2 — CID 109038875

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
SMILESCc1cc(C)c(NC(=O)CCNc2ccc(OC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-13(2)25-17-7-5-16(6-8-17)22-10-9-19(24)23-20-15(4)11-14(3)12-18(20)21/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyVDCXPNQUEUTOCV-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.18
Rot. Bonds7

About N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide (PubChem CID 109038875) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
PubChem CID109038875
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide
SMILESCc1cc(C)c(NC(=O)CCNc2ccc(OC(C)C)cc2)c(Cl)c1
InChIInChI=1S/C20H25ClN2O2/c1-13(2)25-17-7-5-16(6-8-17)22-10-9-19(24)23-20-15(4)11-14(3)12-18(20)21/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24)
InChIKeyVDCXPNQUEUTOCV-UHFFFAOYSA-N
XLogP5.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-propan-2-yloxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036983
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955345
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
3-(5-chloro-2-methylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109038449
3-(2-chloro-4,6-dimethylanilino)-N-(3,4-difluorophenyl)propanamide
CID 109038951
N-(4-acetylphenyl)-3-(2-chloro-4,6-dimethylanilino)propanamide
CID 109038924
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865308
3-(2-chloro-4,6-dimethylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109038931
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
N-(5-chloro-2-methoxyphenyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109039089
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide (CID 109038875) is N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide is Cc1cc(C)c(NC(=O)CCNc2ccc(OC(C)C)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
The InChIKey is VDCXPNQUEUTOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-13(2)25-17-7-5-16(6-8-17)22-10-9-19(24)23-20-15(4)11-14(3)12-18(20)21/h5-8,11-13,22H,9-10H2,1-4H3,(H,23,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide has a molecular weight of 360.89 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(4-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109038875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).