2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

C20H30N2O2 — CID 118788705

IUPAC2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCNC(=O)CCC(C)(C)NC(=O)C1(c2ccc(C)cc2)CC1(C)C
InChIInChI=1S/C20H30N2O2/c1-14-7-9-15(10-8-14)20(13-18(20,2)3)17(24)22-19(4,5)12-11-16(23)21-6/h7-10H,11-13H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyFWJAQHPBWFNSGB-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.08
Rot. Bonds6

About 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 118788705) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID118788705
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCNC(=O)CCC(C)(C)NC(=O)C1(c2ccc(C)cc2)CC1(C)C
InChIInChI=1S/C20H30N2O2/c1-14-7-9-15(10-8-14)20(13-18(20,2)3)17(24)22-19(4,5)12-11-16(23)21-6/h7-10H,11-13H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyFWJAQHPBWFNSGB-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Dextromilnacipran
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CID 282489
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 118788705) is 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is CNC(=O)CCC(C)(C)NC(=O)C1(c2ccc(C)cc2)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is FWJAQHPBWFNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14-7-9-15(10-8-14)20(13-18(20,2)3)17(24)22-19(4,5)12-11-16(23)21-6/h7-10H,11-13H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-methyl-5-(methylamino)-5-oxopentan-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118788705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).