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

C14H23N3O2 — CID 103154440

IUPAC4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O2/c1-17(2)10-11-6-4-5-7-13(11)16-14(18)8-12(9-15)19-3/h4-7,12H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyPYRNEFZAJUFADG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.05
Rot. Bonds7

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

4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide (PubChem CID 103154440) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
PubChem CID103154440
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H23N3O2/c1-17(2)10-11-6-4-5-7-13(11)16-14(18)8-12(9-15)19-3/h4-7,12H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyPYRNEFZAJUFADG-UHFFFAOYSA-N
XLogP1.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
4-amino-N-[2-[cyclopentyl(methyl)amino]phenyl]-3-methoxybutanamide
CID 120597455
4-amino-3-ethoxy-N-[2-(hydroxymethyl)phenyl]butanamide
CID 114227338
4-amino-N-(2-ethylsulfonylphenyl)-3-methoxybutanamide
CID 103154459
2-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxypropanamide
CID 81082978
4-amino-3-methoxy-N-[2-(methylsulfamoyl)phenyl]butanamide
CID 103154438
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
CID 79204978
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
N-[2-[(4-amino-3-methoxybutanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 120589432
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide (CID 103154440) is 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide?
The InChIKey is PYRNEFZAJUFADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(2)10-11-6-4-5-7-13(11)16-14(18)8-12(9-15)19-3/h4-7,12H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide?
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide is sourced from PubChem (CID 103154440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).