1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide

C16H22N2O2 — CID 109130457

IUPAC1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
SMILESCCCNC(=O)C1CC1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-2-9-17-15(19)13-11-14(13)16(20)18-10-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyUFIOYZKSZYZDQE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.51
Rot. Bonds7

About 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide

1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide (PubChem CID 109130457) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
PubChem CID109130457
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
SMILESCCCNC(=O)C1CC1C(=O)NCCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-2-9-17-15(19)13-11-14(13)16(20)18-10-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyUFIOYZKSZYZDQE-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
1-N-cycloheptyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137355
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207
1-N-benzyl-1-N-phenyl-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137430
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137458
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide (CID 109130457) is 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide is CCCNC(=O)C1CC1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
The InChIKey is UFIOYZKSZYZDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-9-17-15(19)13-11-14(13)16(20)18-10-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide?
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109130457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).