N-butyl-N'-(2-methoxyphenyl)propanediamide

C14H20N2O3 — CID 108941476

IUPACN-butyl-N'-(2-methoxyphenyl)propanediamide
SMILESCCCCNC(=O)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-4-9-15-13(17)10-14(18)16-11-7-5-6-8-12(11)19-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMRMMLXMKUWMXAJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.94
Rot. Bonds7

About N-butyl-N'-(2-methoxyphenyl)propanediamide

N-butyl-N'-(2-methoxyphenyl)propanediamide (PubChem CID 108941476) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-butyl-N'-(2-methoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-butyl-N'-(2-methoxyphenyl)propanediamide
PubChem CID108941476
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-butyl-N'-(2-methoxyphenyl)propanediamide
SMILESCCCCNC(=O)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C14H20N2O3/c1-3-4-9-15-13(17)10-14(18)16-11-7-5-6-8-12(11)19-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyMRMMLXMKUWMXAJ-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.94
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-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
2-[(2-methoxyphenyl)carbamoylamino]-N-propylacetamide
CID 27868610
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
N-(2-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82944054
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 46820727
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-methoxyphenyl)propanediamide?
The IUPAC name of N-butyl-N'-(2-methoxyphenyl)propanediamide (CID 108941476) is N-butyl-N'-(2-methoxyphenyl)propanediamide.
What is the SMILES notation for N-butyl-N'-(2-methoxyphenyl)propanediamide?
The canonical SMILES for N-butyl-N'-(2-methoxyphenyl)propanediamide is CCCCNC(=O)CC(=O)Nc1ccccc1OC.
What is the InChIKey of N-butyl-N'-(2-methoxyphenyl)propanediamide?
The InChIKey is MRMMLXMKUWMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-4-9-15-13(17)10-14(18)16-11-7-5-6-8-12(11)19-2/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-butyl-N'-(2-methoxyphenyl)propanediamide?
N-butyl-N'-(2-methoxyphenyl)propanediamide has a molecular weight of 264.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-methoxyphenyl)propanediamide is sourced from PubChem (CID 108941476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).