N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide

C16H22N2O — CID 71979204

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1CC=CC1
InChIInChI=1S/C16H22N2O/c1-12-8-9-13(11-18(2)3)10-15(12)17-16(19)14-6-4-5-7-14/h4-5,8-10,14H,6-7,11H2,1-3H3,(H,17,19)
InChIKeyTYQNEGCOQAXLEW-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.96
Rot. Bonds4

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide

N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide (PubChem CID 71979204) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide
PubChem CID71979204
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1CC=CC1
InChIInChI=1S/C16H22N2O/c1-12-8-9-13(11-18(2)3)10-15(12)17-16(19)14-6-4-5-7-14/h4-5,8-10,14H,6-7,11H2,1-3H3,(H,17,19)
InChIKeyTYQNEGCOQAXLEW-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide (CID 71979204) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide is Cc1ccc(CN(C)C)cc1NC(=O)C1CC=CC1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is TYQNEGCOQAXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-8-9-13(11-18(2)3)10-15(12)17-16(19)14-6-4-5-7-14/h4-5,8-10,14H,6-7,11H2,1-3H3,(H,17,19).
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 71979204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).