4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide

C16H25N3O2 — CID 79210136

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)C2C=CC(N)C2)o1
InChIInChI=1S/C16H25N3O2/c1-12-4-7-15(21-12)11-19(9-8-18(2)3)16(20)13-5-6-14(17)10-13/h4-7,13-14H,8-11,17H2,1-3H3
InChIKeyQTKKTAUJCWNVTB-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.38
Rot. Bonds6

About 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide

4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide (PubChem CID 79210136) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide
PubChem CID79210136
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)C2C=CC(N)C2)o1
InChIInChI=1S/C16H25N3O2/c1-12-4-7-15(21-12)11-19(9-8-18(2)3)16(20)13-5-6-14(17)10-13/h4-7,13-14H,8-11,17H2,1-3H3
InChIKeyQTKKTAUJCWNVTB-UHFFFAOYSA-N
XLogP1.38
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 54873875
N-[2-(dimethylamino)ethyl]-2-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-3-carboxamide
CID 79379409
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-methoxy-1-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 128985685
3-(cyclopropylamino)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60954282
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062
4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63307969
2-(2-aminoethoxy)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79474044
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
CID 112686122
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide
CID 79210713

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide (CID 79210136) is 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide is Cc1ccc(CN(CCN(C)C)C(=O)C2C=CC(N)C2)o1.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
The InChIKey is QTKKTAUJCWNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-4-7-15(21-12)11-19(9-8-18(2)3)16(20)13-5-6-14(17)10-13/h4-7,13-14H,8-11,17H2,1-3H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide?
4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).