2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide

C19H29N3O2 — CID 109134131

IUPAC2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)NCCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C19H29N3O2/c1-5-22(15-9-6-8-14(2)12-15)19(24)17-13-16(17)18(23)20-10-7-11-21(3)4/h6,8-9,12,16-17H,5,7,10-11,13H2,1-4H3,(H,20,23)
InChIKeyKIBBUJWDMNLIOB-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.05
Rot. Bonds8

About 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109134131) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109134131
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(C(=O)C1CC1C(=O)NCCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C19H29N3O2/c1-5-22(15-9-6-8-14(2)12-15)19(24)17-13-16(17)18(23)20-10-7-11-21(3)4/h6,8-9,12,16-17H,5,7,10-11,13H2,1-4H3,(H,20,23)
InChIKeyKIBBUJWDMNLIOB-UHFFFAOYSA-N
XLogP2.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
2-N-butyl-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131399
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
1-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137883
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137320
2-N-(3,4-dimethylphenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141736
2-N-(2-chlorophenyl)-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142859
1-N-ethyl-1-N-(3-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143725
4-N-ethyl-4-N-(3-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149897
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143643

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109134131) is 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is CCN(C(=O)C1CC1C(=O)NCCCN(C)C)c1cccc(C)c1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is KIBBUJWDMNLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-22(15-9-6-8-14(2)12-15)19(24)17-13-16(17)18(23)20-10-7-11-21(3)4/h6,8-9,12,16-17H,5,7,10-11,13H2,1-4H3,(H,20,23).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109134131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).