2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide

C12H24N2O2 — CID 81089640

IUPAC2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)C(N)CCCOC)C(C)C
InChIInChI=1S/C12H24N2O2/c1-5-8-14(10(2)3)12(15)11(13)7-6-9-16-4/h5,10-11H,1,6-9,13H2,2-4H3
InChIKeySTPKAWHGVUETAP-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.16
Rot. Bonds8

About 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide

2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide (PubChem CID 81089640) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide
PubChem CID81089640
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)C(N)CCCOC)C(C)C
InChIInChI=1S/C12H24N2O2/c1-5-8-14(10(2)3)12(15)11(13)7-6-9-16-4/h5,10-11H,1,6-9,13H2,2-4H3
InChIKeySTPKAWHGVUETAP-UHFFFAOYSA-N
XLogP1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.16
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide?
The IUPAC name of 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide (CID 81089640) is 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide is C=CCN(C(=O)C(N)CCCOC)C(C)C.
What is the InChIKey of 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide?
The InChIKey is STPKAWHGVUETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-8-14(10(2)3)12(15)11(13)7-6-9-16-4/h5,10-11H,1,6-9,13H2,2-4H3.
What are the key properties of 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide?
2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-propan-2-yl-N-prop-2-enylpentanamide is sourced from PubChem (CID 81089640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).