3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide

C14H21N3O2 — CID 54924467

IUPAC3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-10(15)8-13(18)16-12-6-4-11(5-7-12)9-14(19)17(2)3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyKBVBMZUMFPETPV-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds5

About 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide

3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide (PubChem CID 54924467) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
PubChem CID54924467
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-10(15)8-13(18)16-12-6-4-11(5-7-12)9-14(19)17(2)3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyKBVBMZUMFPETPV-UHFFFAOYSA-N
XLogP0.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 119949748
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
2-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667262
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119719016
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
CID 120873362
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide (CID 54924467) is 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide is CC(N)CC(=O)Nc1ccc(CC(=O)N(C)C)cc1.
What is the InChIKey of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide?
The InChIKey is KBVBMZUMFPETPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(15)8-13(18)16-12-6-4-11(5-7-12)9-14(19)17(2)3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide?
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide is sourced from PubChem (CID 54924467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).