2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide

C14H21N3O3 — CID 60995072

IUPAC2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H21N3O3/c1-9(2)7-17-13(14(16)19)10-3-5-11(6-4-10)20-8-12(15)18/h3-6,9,13,17H,7-8H2,1-2H3,(H2,15,18)(H2,16,19)
InChIKeyUGNMHLIGUBABHI-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.32
Rot. Bonds8

About 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide

2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide (PubChem CID 60995072) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide
PubChem CID60995072
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNC(C(N)=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H21N3O3/c1-9(2)7-17-13(14(16)19)10-3-5-11(6-4-10)20-8-12(15)18/h3-6,9,13,17H,7-8H2,1-2H3,(H2,15,18)(H2,16,19)
InChIKeyUGNMHLIGUBABHI-UHFFFAOYSA-N
XLogP0.32
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-(2-methylpropylamino)acetamide
CID 60995659
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-(2-methylpropyl)prop-2-enamide
CID 9400445
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-(3,5-dimethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891131
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
ethyl 2-(2-methylpropylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 61002775
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-(4-bromo-3-fluorophenyl)-2-(2-methylpropylamino)acetamide
CID 81436324
(2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 96509364
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678944
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide?
The IUPAC name of 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide (CID 60995072) is 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide?
The canonical SMILES for 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide is CC(C)CNC(C(N)=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide?
The InChIKey is UGNMHLIGUBABHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)7-17-13(14(16)19)10-3-5-11(6-4-10)20-8-12(15)18/h3-6,9,13,17H,7-8H2,1-2H3,(H2,15,18)(H2,16,19).
What are the key properties of 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide?
2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 60995072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).