N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide

C15H22N2O2 — CID 108940770

IUPACN'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-9-16-14(18)11-15(19)17(5-2)13-8-6-7-12(3)10-13/h6-8,10H,4-5,9,11H2,1-3H3,(H,16,18)
InChIKeyVWLCWTZYJSMDHT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.26
Rot. Bonds6

About N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide

N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide (PubChem CID 108940770) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
PubChem CID108940770
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
SMILESCCCNC(=O)CC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-9-16-14(18)11-15(19)17(5-2)13-8-6-7-12(3)10-13/h6-8,10H,4-5,9,11H2,1-3H3,(H,16,18)
InChIKeyVWLCWTZYJSMDHT-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944137
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953668
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108941153
N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
CID 108954333
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide (CID 108940770) is N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide is CCCNC(=O)CC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide?
The InChIKey is VWLCWTZYJSMDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-9-16-14(18)11-15(19)17(5-2)13-8-6-7-12(3)10-13/h6-8,10H,4-5,9,11H2,1-3H3,(H,16,18).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide?
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide has a molecular weight of 262.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide is sourced from PubChem (CID 108940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).