4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide

C14H21N3O2 — CID 119312070

IUPAC4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
SMILESCCc1cccc(NC(=O)CNC(=O)CCCN)c1
InChIInChI=1S/C14H21N3O2/c1-2-11-5-3-6-12(9-11)17-14(19)10-16-13(18)7-4-8-15/h3,5-6,9H,2,4,7-8,10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyAPOHJBXYEOKFCI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds7

About 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide

4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide (PubChem CID 119312070) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
PubChem CID119312070
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
SMILESCCc1cccc(NC(=O)CNC(=O)CCCN)c1
InChIInChI=1S/C14H21N3O2/c1-2-11-5-3-6-12(9-11)17-14(19)10-16-13(18)7-4-8-15/h3,5-6,9H,2,4,7-8,10,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyAPOHJBXYEOKFCI-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

4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
(2R)-2-amino-N-[2-(3-ethylanilino)-2-oxoethyl]propanamide
CID 119312061
7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide
CID 119758062
N-(3-ethylphenyl)decanamide
CID 4053743
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979
3-[[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]acetyl]amino]benzamide
CID 144762883
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide (CID 119312070) is 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide is CCc1cccc(NC(=O)CNC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide?
The InChIKey is APOHJBXYEOKFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-11-5-3-6-12(9-11)17-14(19)10-16-13(18)7-4-8-15/h3,5-6,9H,2,4,7-8,10,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide?
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]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 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 119312070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).