N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide

C15H25N3O2 — CID 119842558

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1cccc(CN(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-18(2)12-14-6-4-5-13(9-14)10-17-15(19)11-16-7-8-20-3/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,17,19)
InChIKeySOOSDQLIOQVECB-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.60
Rot. Bonds9

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119842558) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119842558
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1cccc(CN(C)C)c1
InChIInChI=1S/C15H25N3O2/c1-18(2)12-14-6-4-5-13(9-14)10-17-15(19)11-16-7-8-20-3/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,17,19)
InChIKeySOOSDQLIOQVECB-UHFFFAOYSA-N
XLogP0.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 79282538
3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722835
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908414
3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
CID 119802987
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975205
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
2-[[3-(methoxymethyl)phenyl]methylamino]-N-(3-methoxypropyl)acetamide
CID 61486434

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide (CID 119842558) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCc1cccc(CN(C)C)c1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is SOOSDQLIOQVECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18(2)12-14-6-4-5-13(9-14)10-17-15(19)11-16-7-8-20-3/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,17,19).
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 279.38 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119842558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).