2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide

C14H23N3O2 — CID 83332704

IUPAC2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
SMILESCN(C)CCCOc1ccc(CNC(=O)CN)cc1
InChIInChI=1S/C14H23N3O2/c1-17(2)8-3-9-19-13-6-4-12(5-7-13)11-16-14(18)10-15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyDPNUNFMMWOOXAL-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.59
Rot. Bonds8

About 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide

2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide (PubChem CID 83332704) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
PubChem CID83332704
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide
SMILESCN(C)CCCOc1ccc(CNC(=O)CN)cc1
InChIInChI=1S/C14H23N3O2/c1-17(2)8-3-9-19-13-6-4-12(5-7-13)11-16-14(18)10-15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18)
InChIKeyDPNUNFMMWOOXAL-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.59
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

4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylbutanamide
CID 120503727
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
3-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119877262
1-benzyl-3-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-2-methylguanidine
CID 110954500
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
N-[3-(dimethylamino)propyl]-3-(4-ethylphenoxy)propanamide
CID 108795819
3-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylbutanamide;dihydrochloride
CID 120502855
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenoxy)butanamide
CID 46536237

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide (CID 83332704) is 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide is CN(C)CCCOc1ccc(CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide?
The InChIKey is DPNUNFMMWOOXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(2)8-3-9-19-13-6-4-12(5-7-13)11-16-14(18)10-15/h4-7H,3,8-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide?
2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 83332704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).