3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide

C18H28N2O — CID 60926869

IUPAC3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)17(21)12-13-19-18(16-10-11-16)15-8-6-14(3)7-9-15/h6-9,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyRCCGGSIHOGJEHM-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds8

About 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide

3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide (PubChem CID 60926869) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
PubChem CID60926869
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(c1ccc(C)cc1)C1CC1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)17(21)12-13-19-18(16-10-11-16)15-8-6-14(3)7-9-15/h6-9,16,18-19H,4-5,10-13H2,1-3H3
InChIKeyRCCGGSIHOGJEHM-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Melinamide
CID 20054967
Myramistin
CID 72949
SA-58035
CID 122215
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CID 126648559
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
Acetamide, N-(alpha-cyclohexylbenzyl)-2-(diethylamino)-
CID 209457
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
N-Benzyl-3-(4-phenyl-1,2,3,6-tetrahydropyridino)-propionamide
CID 285516
Propanamide, 2-methyl-N-(phenylmethyl)-
CID 94895
N-(1-phenylethyl)acetamide
CID 222023
N-Benzhydrylacetamide
CID 614461

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide (CID 60926869) is 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(c1ccc(C)cc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide?
The InChIKey is RCCGGSIHOGJEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-20(5-2)17(21)12-13-19-18(16-10-11-16)15-8-6-14(3)7-9-15/h6-9,16,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide?
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 60926869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).