4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide

C11H22N2O2 — CID 103156731

IUPAC4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O2/c1-4-5-6-7-13(2)11(14)8-10(9-12)15-3/h4,10H,1,5-9,12H2,2-3H3
InChIKeyURPQLJOYTLABOP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds8

About 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide

4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide (PubChem CID 103156731) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide
PubChem CID103156731
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide
SMILESC=CCCCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O2/c1-4-5-6-7-13(2)11(14)8-10(9-12)15-3/h4,10H,1,5-9,12H2,2-3H3
InChIKeyURPQLJOYTLABOP-UHFFFAOYSA-N
XLogP0.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120590193
4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide
CID 120590194
4-amino-3-methoxy-N-prop-2-enylbutanamide
CID 103154231
4-amino-3-methoxy-N,N-bis(prop-2-enyl)butanamide
CID 103154234
4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide
CID 103154235
4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide
CID 103155207
4-Amino-3-methoxy-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 103155455
4-amino-N-(3-ethenoxypropyl)-3-methoxybutanamide
CID 103155531
4-amino-N-cyclohex-3-en-1-yl-3-methoxybutanamide
CID 103156097
4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide
CID 103156480
4-amino-N-ethyl-3-methoxy-N-prop-2-enylbutanamide
CID 103156481
4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide
CID 103156482

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide (CID 103156731) is 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide is C=CCCCN(C)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide?
The InChIKey is URPQLJOYTLABOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-6-7-13(2)11(14)8-10(9-12)15-3/h4,10H,1,5-9,12H2,2-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide?
4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-pent-4-enylbutanamide is sourced from PubChem (CID 103156731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).