2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide

C14H20N2O2 — CID 20800925

IUPAC2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide
SMILESC=C(CCc1ccccc1)C(N)C(=O)N(C)OC
InChIInChI=1S/C14H20N2O2/c1-11(13(15)14(17)16(2)18-3)9-10-12-7-5-4-6-8-12/h4-8,13H,1,9-10,15H2,2-3H3
InChIKeySCOIZLNZEDBKMS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds6

About 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide

2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide (PubChem CID 20800925) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide.

Molecular Properties

Compound Name2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide
PubChem CID20800925
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide
SMILESC=C(CCc1ccccc1)C(N)C(=O)N(C)OC
InChIInChI=1S/C14H20N2O2/c1-11(13(15)14(17)16(2)18-3)9-10-12-7-5-4-6-8-12/h4-8,13H,1,9-10,15H2,2-3H3
InChIKeySCOIZLNZEDBKMS-UHFFFAOYSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 57222497
2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid
CID 135349152
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
2-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 22593839
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
ethyl 2-benzyl-3-[methoxy(methyl)amino]-3-oxopropanoate
CID 59364045
CID 158445253
CID 158445253
benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo(1,2,3-13C3)propan-2-yl]carbamate
CID 73292966
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide?
The IUPAC name of 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide (CID 20800925) is 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide.
What is the SMILES notation for 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide?
The canonical SMILES for 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide is C=C(CCc1ccccc1)C(N)C(=O)N(C)OC.
What is the InChIKey of 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide?
The InChIKey is SCOIZLNZEDBKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(13(15)14(17)16(2)18-3)9-10-12-7-5-4-6-8-12/h4-8,13H,1,9-10,15H2,2-3H3.
What are the key properties of 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide?
2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methoxy-N-methyl-3-methylidene-5-phenylpentanamide is sourced from PubChem (CID 20800925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).