2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide

C17H24N2O — CID 60714008

IUPAC2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-11-3-9-15(10-4-11)19-17(20)12(2)18-16(13-5-6-13)14-7-8-14/h3-4,9-10,12-14,16,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyBSLRIFXDMXXNIP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.10
Rot. Bonds6

About 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide

2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide (PubChem CID 60714008) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide
PubChem CID60714008
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H24N2O/c1-11-3-9-15(10-4-11)19-17(20)12(2)18-16(13-5-6-13)14-7-8-14/h3-4,9-10,12-14,16,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyBSLRIFXDMXXNIP-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dicyclopropylmethylamino)-N-(2,5-dimethylphenyl)propanamide
CID 119032237
2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
2-[(3,4-dimethylcyclohexyl)amino]-N-(4-methylphenyl)propanamide
CID 64744033
2-[(3-hydroxycyclohexyl)methylamino]-N-(4-methylphenyl)propanamide
CID 106132783
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
2-[(2,3-dimethyloxolan-3-yl)amino]-N-(4-methylphenyl)propanamide
CID 103581201

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide (CID 60714008) is 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide?
The InChIKey is BSLRIFXDMXXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-3-9-15(10-4-11)19-17(20)12(2)18-16(13-5-6-13)14-7-8-14/h3-4,9-10,12-14,16,18H,5-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide?
2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 60714008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).