2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide

C16H24N2O — CID 103734805

IUPAC2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
SMILESCCC1(CNC(C)C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-4-16(9-10-16)11-17-13(3)15(19)18-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyGDQHNNPYYWTVRW-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.10
Rot. Bonds6

About 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide

2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide (PubChem CID 103734805) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
PubChem CID103734805
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
SMILESCCC1(CNC(C)C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H24N2O/c1-4-16(9-10-16)11-17-13(3)15(19)18-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyGDQHNNPYYWTVRW-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(4-methylphenyl)propanamide
CID 106100830
2-(dicyclopropylmethylamino)-N-(4-methylphenyl)propanamide
CID 60714008
2-(cyclopropylamino)-N-(4-methylphenyl)propanamide
CID 60638669
N-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)propanamide
CID 60638599
ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443102
ethyl-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443104
2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
CID 60647573
2-(cyclopentylamino)-N-(4-methylphenyl)propanamide
CID 60638781
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-(4-methylphenyl)methanamine
CID 114099572

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide (CID 103734805) is 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide is CCC1(CNC(C)C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is GDQHNNPYYWTVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(9-10-16)11-17-13(3)15(19)18-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide?
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 260.38 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-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 103734805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).