N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide

C14H22N2O2 — CID 60648313

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
SMILESCCCNCC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-15-10-14(17)16(2)11-12-6-5-7-13(9-12)18-3/h5-7,9,15H,4,8,10-11H2,1-3H3
InChIKeyWBLUMVJFIYLDHT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.65
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide

N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide (PubChem CID 60648313) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
PubChem CID60648313
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
SMILESCCCNCC(=O)N(C)Cc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-4-8-15-10-14(17)16(2)11-12-6-5-7-13(9-12)18-3/h5-7,9,15H,4,8,10-11H2,1-3H3
InChIKeyWBLUMVJFIYLDHT-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
N-benzyl-2-(butylamino)-N-methylacetamide
CID 54816784
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide (CID 60648313) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide is CCCNCC(=O)N(C)Cc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide?
The InChIKey is WBLUMVJFIYLDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-8-15-10-14(17)16(2)11-12-6-5-7-13(9-12)18-3/h5-7,9,15H,4,8,10-11H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide is sourced from PubChem (CID 60648313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).