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

C13H19N3O2 — CID 43704976

IUPAC4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCCN
InChIInChI=1S/C13H19N3O2/c1-15-13(18)9-10-5-2-3-6-11(10)16-12(17)7-4-8-14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyRFAGURAEOOSDJN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.65
Rot. Bonds6

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

4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide (PubChem CID 43704976) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
PubChem CID43704976
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
SMILESCNC(=O)Cc1ccccc1NC(=O)CCCN
InChIInChI=1S/C13H19N3O2/c1-15-13(18)9-10-5-2-3-6-11(10)16-12(17)7-4-8-14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyRFAGURAEOOSDJN-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 114014721
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073
3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
5-[2-(methylaminomethyl)anilino]-5-oxopentanoic acid
CID 61404005
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide (CID 43704976) is 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide is CNC(=O)Cc1ccccc1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
The InChIKey is RFAGURAEOOSDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-13(18)9-10-5-2-3-6-11(10)16-12(17)7-4-8-14/h2-3,5-6H,4,7-9,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide?
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide has a molecular weight of 249.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide is sourced from PubChem (CID 43704976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).