1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide

C19H29N3O2 — CID 109133978

IUPAC1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCCCN(C)C
InChIInChI=1S/C19H29N3O2/c1-4-22(14-15-9-6-5-7-10-15)19(24)17-13-16(17)18(23)20-11-8-12-21(2)3/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3,(H,20,23)
InChIKeyQCKKVNFKIQNRQG-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.74
Rot. Bonds9

About 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide (PubChem CID 109133978) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
PubChem CID109133978
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCCCN(C)C
InChIInChI=1S/C19H29N3O2/c1-4-22(14-15-9-6-5-7-10-15)19(24)17-13-16(17)18(23)20-11-8-12-21(2)3/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3,(H,20,23)
InChIKeyQCKKVNFKIQNRQG-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.74
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

1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131047
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445
1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109136757
2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109133969
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134131
6-N-benzyl-2-N-[3-(dimethylamino)propyl]-6-N-ethylpyridine-2,6-dicarboxamide
CID 109096524
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide (CID 109133978) is 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCCCN(C)C.
What is the InChIKey of 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
The InChIKey is QCKKVNFKIQNRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-22(14-15-9-6-5-7-10-15)19(24)17-13-16(17)18(23)20-11-8-12-21(2)3/h5-7,9-10,16-17H,4,8,11-14H2,1-3H3,(H,20,23).
What are the key properties of 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).