1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide

C17H24N2O2 — CID 109135625

IUPAC1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCC(NC(=O)C1CC1C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-11(12-8-6-5-7-9-12)18-15(20)13-10-14(13)16(21)19-17(2,3)4/h5-9,11,13-14H,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyMPTUGPJBPDFRSI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.41
Rot. Bonds4

About 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide

1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109135625) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109135625
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCC(NC(=O)C1CC1C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-11(12-8-6-5-7-9-12)18-15(20)13-10-14(13)16(21)19-17(2,3)4/h5-9,11,13-14H,10H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyMPTUGPJBPDFRSI-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109131234
cis-(1R,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 134523878
cis-(1R,2R)-2-ethyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 134523880
3,4-dimethyl-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 23910468
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
2-(morpholine-4-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 109133281
(1S,6R)-6-(1-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 103710093
N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3272708
2-N-[3-(dimethylamino)propyl]-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109133969
1-N-(1-phenylethyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109135595

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (CID 109135625) is 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is CC(NC(=O)C1CC1C(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is MPTUGPJBPDFRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(12-8-6-5-7-9-12)18-15(20)13-10-14(13)16(21)19-17(2,3)4/h5-9,11,13-14H,10H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).