N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide

C15H22N2O — CID 112700004

IUPACN-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide
SMILESCc1cccc(C)c1CNC(C)C(=O)NC1CC1
InChIInChI=1S/C15H22N2O/c1-10-5-4-6-11(2)14(10)9-16-12(3)15(18)17-13-7-8-13/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyLWTBQBVPPOGHMP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.06
Rot. Bonds5

About N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide

N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide (PubChem CID 112700004) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide
PubChem CID112700004
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide
SMILESCc1cccc(C)c1CNC(C)C(=O)NC1CC1
InChIInChI=1S/C15H22N2O/c1-10-5-4-6-11(2)14(10)9-16-12(3)15(18)17-13-7-8-13/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18)
InChIKeyLWTBQBVPPOGHMP-UHFFFAOYSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127042772
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-methylphenyl)methyl)amino)-
CID 454356
2(1H)-Pyridinone, 5-ethyl-3-(((2-ethylphenyl)methyl)amino)-6-methyl-
CID 454358
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
N-benzyl-2-[(4-ethylphenyl)methyl-methylamino]propanamide
CID 4883439
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 5136453
N-[1-(2,5-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6465707
N-[1-(3,4-dimethylphenyl)ethyl]cyclopentanecarboxamide
CID 6469972

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide (CID 112700004) is N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide is Cc1cccc(C)c1CNC(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide?
The InChIKey is LWTBQBVPPOGHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-4-6-11(2)14(10)9-16-12(3)15(18)17-13-7-8-13/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide?
N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide is sourced from PubChem (CID 112700004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).