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

C18H27N3O2 — CID 108973731

IUPAC1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)NCCCN(C)C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14-6-4-7-15(12-14)13-20-17(23)18(8-9-18)16(22)19-10-5-11-21(2)3/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyWBNRQOXPBKOKIE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.46
Rot. Bonds8

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

1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108973731) 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'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108973731
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1cccc(CNC(=O)C2(C(=O)NCCCN(C)C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14-6-4-7-15(12-14)13-20-17(23)18(8-9-18)16(22)19-10-5-11-21(2)3/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyWBNRQOXPBKOKIE-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[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975048
1-[(3-methylphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096961
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973730
1-N'-[2-(3-chlorophenyl)ethyl]-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973789
1-N'-tert-butyl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975092
1-N-[(3-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970412
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193
1-N'-butan-2-yl-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108971384
1-N'-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973822
1-N-[(3-methylphenyl)methyl]-1-N'-(4-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975122
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108973731) is 1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is Cc1cccc(CNC(=O)C2(C(=O)NCCCN(C)C)CC2)c1.
What is the InChIKey of 1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is WBNRQOXPBKOKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-6-4-7-15(12-14)13-20-17(23)18(8-9-18)16(22)19-10-5-11-21(2)3/h4,6-7,12H,5,8-11,13H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-[3-(dimethylamino)propyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N-[3-(dimethylamino)propyl]-1-N'-[(3-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'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).