N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide

C15H23N3O2 — CID 119294565

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
SMILESCCN(Cc1ccccc1NC(=O)CCCN)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-3-18(12(2)19)11-13-7-4-5-8-14(13)17-15(20)9-6-10-16/h4-5,7-8H,3,6,9-11,16H2,1-2H3,(H,17,20)
InChIKeyFAAVRIXZDIVIIK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.73
Rot. Bonds7

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide (PubChem CID 119294565) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
PubChem CID119294565
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
SMILESCCN(Cc1ccccc1NC(=O)CCCN)C(C)=O
InChIInChI=1S/C15H23N3O2/c1-3-18(12(2)19)11-13-7-4-5-8-14(13)17-15(20)9-6-10-16/h4-5,7-8H,3,6,9-11,16H2,1-2H3,(H,17,20)
InChIKeyFAAVRIXZDIVIIK-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
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N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
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N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732850
2-[2-[[acetyl(ethyl)amino]methyl]anilino]-N-carbamoylacetamide
CID 86983777
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-iodo-3-methylbenzamide
CID 60553266
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide (CID 119294565) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide is CCN(Cc1ccccc1NC(=O)CCCN)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide?
The InChIKey is FAAVRIXZDIVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-18(12(2)19)11-13-7-4-5-8-14(13)17-15(20)9-6-10-16/h4-5,7-8H,3,6,9-11,16H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide has a molecular weight of 277.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide is sourced from PubChem (CID 119294565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).