4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide

C16H22N2O2 — CID 79210479

IUPAC4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C16H22N2O2/c1-12-5-3-4-6-15(12)20-10-9-18(2)16(19)13-7-8-14(17)11-13/h3-8,13-14H,9-11,17H2,1-2H3
InChIKeyZZRPQDGQBOKUDM-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.74
Rot. Bonds5

About 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide

4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210479) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210479
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C16H22N2O2/c1-12-5-3-4-6-15(12)20-10-9-18(2)16(19)13-7-8-14(17)11-13/h3-8,13-14H,9-11,17H2,1-2H3
InChIKeyZZRPQDGQBOKUDM-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210396
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119695596
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
(3R)-N-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 124513206
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
1-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119274527
1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
CID 116584924
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide (CID 79210479) is 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide is Cc1ccccc1OCCN(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is ZZRPQDGQBOKUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-5-3-4-6-15(12)20-10-9-18(2)16(19)13-7-8-14(17)11-13/h3-8,13-14H,9-11,17H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).