N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide

C16H23ClN2O3 — CID 108951986

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-4-5-6-7-18-15(20)10-16(21)19-13-8-11(2)12(17)9-14(13)22-3/h8-9H,4-7,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFIUWHURJTAMSJY-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.29
Rot. Bonds8

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide (PubChem CID 108951986) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide
PubChem CID108951986
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC
InChIInChI=1S/C16H23ClN2O3/c1-4-5-6-7-18-15(20)10-16(21)19-13-8-11(2)12(17)9-14(13)22-3/h8-9H,4-7,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyFIUWHURJTAMSJY-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-propylpropanediamide
CID 108940764
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-[(4-chlorophenyl)methyl]propanediamide
CID 108946828
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
2-[acetyl(butyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158798
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
2-[butyl(2-hydroxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 110881535
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide (CID 108951986) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide is CCCCCNC(=O)CC(=O)Nc1cc(C)c(Cl)cc1OC.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide?
The InChIKey is FIUWHURJTAMSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-4-5-6-7-18-15(20)10-16(21)19-13-8-11(2)12(17)9-14(13)22-3/h8-9H,4-7,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide has a molecular weight of 326.82 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-pentylpropanediamide is sourced from PubChem (CID 108951986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).