2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide

C16H26N2O3 — CID 81071354

IUPAC2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)CCCOC
InChIInChI=1S/C16H26N2O3/c1-4-21-15-10-6-5-8-13(15)12-18(2)16(19)14(17)9-7-11-20-3/h5-6,8,10,14H,4,7,9,11-12,17H2,1-3H3
InChIKeyFEDFPINXCYHWBE-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.80
Rot. Bonds9

About 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide

2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide (PubChem CID 81071354) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
PubChem CID81071354
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide
SMILESCCOc1ccccc1CN(C)C(=O)C(N)CCCOC
InChIInChI=1S/C16H26N2O3/c1-4-21-15-10-6-5-8-13(15)12-18(2)16(19)14(17)9-7-11-20-3/h5-6,8,10,14H,4,7,9,11-12,17H2,1-3H3
InChIKeyFEDFPINXCYHWBE-UHFFFAOYSA-N
XLogP1.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methylbutanediamide
CID 60962465
2-amino-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54873662
2-bromo-N-[(2-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54876015
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273
2-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-5-methoxypentanamide
CID 81071356
2-amino-1-(3,4-diethoxyphenyl)-5-methoxypentan-1-one
CID 116593857
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
3-[(2-ethoxyphenyl)methyl]-1-(3-methoxypropyl)-1-methylurea
CID 86850576
2-amino-N-[(2-fluorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983321

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide?
The IUPAC name of 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide (CID 81071354) is 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide is CCOc1ccccc1CN(C)C(=O)C(N)CCCOC.
What is the InChIKey of 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide?
The InChIKey is FEDFPINXCYHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-21-15-10-6-5-8-13(15)12-18(2)16(19)14(17)9-7-11-20-3/h5-6,8,10,14H,4,7,9,11-12,17H2,1-3H3.
What are the key properties of 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide?
2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methylpentanamide is sourced from PubChem (CID 81071354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).