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

C18H27N3O2 — CID 108973730

IUPAC1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-14-7-4-5-8-15(14)13-20-17(23)18(9-10-18)16(22)19-11-6-12-21(2)3/h4-5,7-8H,6,9-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLDAFFFFDGUGDNS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.46
Rot. Bonds8

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

1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108973730) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108973730
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-14-7-4-5-8-15(14)13-20-17(23)18(9-10-18)16(22)19-11-6-12-21(2)3/h4-5,7-8H,6,9-13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLDAFFFFDGUGDNS-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973731
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974930
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974929
1-N-[(2-methylphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974975
1-N'-(2,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974964
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
1-N-[(2-methylphenyl)methyl]-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108974902

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108973730) is 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is Cc1ccccc1CNC(=O)C1(C(=O)NCCCN(C)C)CC1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is LDAFFFFDGUGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-7-4-5-8-15(14)13-20-17(23)18(9-10-18)16(22)19-11-6-12-21(2)3/h4-5,7-8H,6,9-13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).