1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide

C13H16N2O2 — CID 68623726

IUPAC1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
SMILESC[C@H](NC(=O)C1(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9(10-5-3-2-4-6-10)15-12(17)13(7-8-13)11(14)16/h2-6,9H,7-8H2,1H3,(H2,14,16)(H,15,17)/t9-/m0/s1
InChIKeyGFEKKJQBNWCPOQ-VIFPVBQESA-N
MW232.28 g/mol
LogP1.13
Rot. Bonds4

About 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide

1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 68623726) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
PubChem CID68623726
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
SMILESC[C@H](NC(=O)C1(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-9(10-5-3-2-4-6-10)15-12(17)13(7-8-13)11(14)16/h2-6,9H,7-8H2,1H3,(H2,14,16)(H,15,17)/t9-/m0/s1
InChIKeyGFEKKJQBNWCPOQ-VIFPVBQESA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398
1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
1-N-(3-acetamidophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975451
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 80590171
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
1-N-[(2-methylphenyl)methyl]-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108974902
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide (CID 68623726) is 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide is C[C@H](NC(=O)C1(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is GFEKKJQBNWCPOQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(10-5-3-2-4-6-10)15-12(17)13(7-8-13)11(14)16/h2-6,9H,7-8H2,1H3,(H2,14,16)(H,15,17)/t9-/m0/s1.
What are the key properties of 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide?
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 68623726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).