4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide

C14H21N3O3 — CID 120562385

IUPAC4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide
SMILESCNC(=O)COc1ccc(NC(=O)CCC(C)N)cc1
InChIInChI=1S/C14H21N3O3/c1-10(15)3-8-13(18)17-11-4-6-12(7-5-11)20-9-14(19)16-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPGCVAPYYLXBZOS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.88
Rot. Bonds7

About 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide

4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide (PubChem CID 120562385) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide
PubChem CID120562385
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide
SMILESCNC(=O)COc1ccc(NC(=O)CCC(C)N)cc1
InChIInChI=1S/C14H21N3O3/c1-10(15)3-8-13(18)17-11-4-6-12(7-5-11)20-9-14(19)16-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPGCVAPYYLXBZOS-UHFFFAOYSA-N
XLogP0.88
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(4-ethoxyanilino)-2-oxoethyl]pentanamide
CID 120561379
(2S)-2-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-methylsulfanylbutanamide
CID 119319639
(2S)-2-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119319638
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide?
The IUPAC name of 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide (CID 120562385) is 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide is CNC(=O)COc1ccc(NC(=O)CCC(C)N)cc1.
What is the InChIKey of 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide?
The InChIKey is PGCVAPYYLXBZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(15)3-8-13(18)17-11-4-6-12(7-5-11)20-9-14(19)16-2/h4-7,10H,3,8-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide?
4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide has a molecular weight of 279.34 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide is sourced from PubChem (CID 120562385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).