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

C14H21N3O2 — CID 62837196

IUPACN-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-16-10(2)8-14(19)17-12-7-5-4-6-11(12)9-13(15)18/h4-7,10,16H,3,8-9H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyVQXOOKBKCJVSLX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds7

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

N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide (PubChem CID 62837196) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
PubChem CID62837196
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccccc1CC(N)=O
InChIInChI=1S/C14H21N3O2/c1-3-16-10(2)8-14(19)17-12-7-5-4-6-11(12)9-13(15)18/h4-7,10,16H,3,8-9H2,1-2H3,(H2,15,18)(H,17,19)
InChIKeyVQXOOKBKCJVSLX-UHFFFAOYSA-N
XLogP1.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[2-(2-amino-2-oxoethyl)phenyl]-3-phenylbutanamide
CID 51942532
methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
N-(2,1,3-benzoselenadiazol-4-yl)-3-(ethylamino)butanamide
CID 62839530
N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
N-[2-[[2-(2-amino-2-oxoethyl)phenyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 51080425
(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide
CID 97059465
3-(ethylamino)-N-(2-morpholin-4-ylphenyl)butanamide
CID 62839891
methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
CID 62838643
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide (CID 62837196) is N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccccc1CC(N)=O.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide?
The InChIKey is VQXOOKBKCJVSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16-10(2)8-14(19)17-12-7-5-4-6-11(12)9-13(15)18/h4-7,10,16H,3,8-9H2,1-2H3,(H2,15,18)(H,17,19).
What are the key properties of N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide?
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide has a molecular weight of 263.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62837196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).