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

C18H27N3O2 — CID 109133969

IUPAC2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCC(NC(=O)C1CC1C(=O)NCCCN(C)C)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-13(14-8-5-4-6-9-14)20-18(23)16-12-15(16)17(22)19-10-7-11-21(2)3/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyXNAJZLPQGREKSM-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.57
Rot. Bonds8

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

2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133969) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133969
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCC(NC(=O)C1CC1C(=O)NCCCN(C)C)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-13(14-8-5-4-6-9-14)20-18(23)16-12-15(16)17(22)19-10-7-11-21(2)3/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyXNAJZLPQGREKSM-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
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-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109131234
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
1-N-(1-phenylethyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109135595
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
N-[2-(dimethylamino)ethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2207238
cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (CID 109133969) is 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is CC(NC(=O)C1CC1C(=O)NCCCN(C)C)c1ccccc1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XNAJZLPQGREKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(14-8-5-4-6-9-14)20-18(23)16-12-15(16)17(22)19-10-7-11-21(2)3/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).