N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide

C15H20N2O2 — CID 108941153

IUPACN-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)NC1CC1)c1cccc(C)c1
InChIInChI=1S/C15H20N2O2/c1-3-17(13-6-4-5-11(2)9-13)15(19)10-14(18)16-12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyRPUKIHJBOSDQBM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.02
Rot. Bonds5

About N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide

N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108941153) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108941153
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)NC1CC1)c1cccc(C)c1
InChIInChI=1S/C15H20N2O2/c1-3-17(13-6-4-5-11(2)9-13)15(19)10-14(18)16-12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyRPUKIHJBOSDQBM-UHFFFAOYSA-N
XLogP2.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.02
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-cyclopentyl-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108942305
2-(N-acetyl-3-methylanilino)-N-cyclopropylacetamide
CID 113167455
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N-cycloheptyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109005664
N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953668
2-[acetyl(cyclohexyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113159596
3-cyclopropyl-1-(3-methylphenyl)-1-(2-methylpropyl)urea
CID 54531853
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
CID 108954333

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide (CID 108941153) is N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide is CCN(C(=O)CC(=O)NC1CC1)c1cccc(C)c1.
What is the InChIKey of N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is RPUKIHJBOSDQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-17(13-6-4-5-11(2)9-13)15(19)10-14(18)16-12-7-8-12/h4-6,9,12H,3,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide?
N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 260.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-ethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108941153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).