N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C16H24N2O — CID 119500317

IUPACN-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCNCCNC(=O)C1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)12-4-6-13(7-5-12)14-10-15(14)16(19)18-9-8-17-3/h4-7,11,14-15,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyUQOCALVQFLNXCG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 119500317) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID119500317
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCNCCNC(=O)C1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-11(2)12-4-6-13(7-5-12)14-10-15(14)16(19)18-9-8-17-3/h4-7,11,14-15,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyUQOCALVQFLNXCG-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 119500317) is N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is CNCCNC(=O)C1CC1c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is UQOCALVQFLNXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)12-4-6-13(7-5-12)14-10-15(14)16(19)18-9-8-17-3/h4-7,11,14-15,17H,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119500317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).