N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide

C17H24N2O — CID 104526953

IUPACN-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(C2CC(NCCNC(=O)C3CC3)C2)c1
InChIInChI=1S/C17H24N2O/c1-12-3-2-4-14(9-12)15-10-16(11-15)18-7-8-19-17(20)13-5-6-13/h2-4,9,13,15-16,18H,5-8,10-11H2,1H3,(H,19,20)
InChIKeyPDWHMRCNRVIXTB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.36
Rot. Bonds6

About N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 104526953) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID104526953
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
SMILESCc1cccc(C2CC(NCCNC(=O)C3CC3)C2)c1
InChIInChI=1S/C17H24N2O/c1-12-3-2-4-14(9-12)15-10-16(11-15)18-7-8-19-17(20)13-5-6-13/h2-4,9,13,15-16,18H,5-8,10-11H2,1H3,(H,19,20)
InChIKeyPDWHMRCNRVIXTB-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.36
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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Related Compounds

N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
CID 61021464
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-[2-[(4-phenylcyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 115572811
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
N,N-dimethyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]acetamide
CID 43635313
3-(3-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104530160
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633758

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide (CID 104526953) is N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide is Cc1cccc(C2CC(NCCNC(=O)C3CC3)C2)c1.
What is the InChIKey of N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is PDWHMRCNRVIXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-3-2-4-14(9-12)15-10-16(11-15)18-7-8-19-17(20)13-5-6-13/h2-4,9,13,15-16,18H,5-8,10-11H2,1H3,(H,19,20).
What are the key properties of N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 104526953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).