2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one

C19H29NO — CID 78944907

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(CCC(C)C)C2CC2)cc1C
InChIInChI=1S/C19H29NO/c1-13(2)10-11-20(18-8-9-18)16(5)19(21)17-7-6-14(3)15(4)12-17/h6-7,12-13,16,18H,8-11H2,1-5H3
InChIKeyQKNRDSWDLLHQOZ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.39
Rot. Bonds7

About 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one

2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one (PubChem CID 78944907) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one
PubChem CID78944907
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(CCC(C)C)C2CC2)cc1C
InChIInChI=1S/C19H29NO/c1-13(2)10-11-20(18-8-9-18)16(5)19(21)17-7-6-14(3)15(4)12-17/h6-7,12-13,16,18H,8-11H2,1-5H3
InChIKeyQKNRDSWDLLHQOZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(3,4-dimethylbenzoyl)amino]-2-methylpropanoic acid
CID 82325036
1-(4-chlorophenyl)-2-[cyclopropyl(2-methylpropyl)amino]propan-1-one
CID 55001883
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
2-[cyclopropyl(2-methoxyethyl)amino]-1-(3,4-difluorophenyl)propan-1-one
CID 61451909
3-amino-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzamide
CID 54906107
2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
CID 62035856
N-cyclopropyl-3-methyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 78925719
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
1-(3,4-dimethylphenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-one
CID 112662142

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one (CID 78944907) is 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N(CCC(C)C)C2CC2)cc1C.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one?
The InChIKey is QKNRDSWDLLHQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(2)10-11-20(18-8-9-18)16(5)19(21)17-7-6-14(3)15(4)12-17/h6-7,12-13,16,18H,8-11H2,1-5H3.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one?
2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one is sourced from PubChem (CID 78944907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).