4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide

C13H23N3O3 — CID 79210810

IUPAC4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H23N3O3/c1-16(9-12(17)15-6-3-7-19-2)13(18)10-4-5-11(14)8-10/h4-5,10-11H,3,6-9,14H2,1-2H3,(H,15,17)
InChIKeyBKSRPRBYLOPHMR-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.50
Rot. Bonds7

About 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide

4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79210810) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79210810
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)C1C=CC(N)C1
InChIInChI=1S/C13H23N3O3/c1-16(9-12(17)15-6-3-7-19-2)13(18)10-4-5-11(14)8-10/h4-5,10-11H,3,6-9,14H2,1-2H3,(H,15,17)
InChIKeyBKSRPRBYLOPHMR-UHFFFAOYSA-N
XLogP-0.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79210568
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119274183
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119274181
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 54874049
cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378992
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54875764
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide (CID 79210810) is 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide is COCCCNC(=O)CN(C)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is BKSRPRBYLOPHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-16(9-12(17)15-6-3-7-19-2)13(18)10-4-5-11(14)8-10/h4-5,10-11H,3,6-9,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide?
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).