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

C14H22ClN3O2 — CID 119312069

IUPAC4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
SMILESCCc1cccc(NC(=O)CNC(=O)CCCN)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/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);1H
InChIKeyOXRRWHDDGOGNRO-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.46
Rot. Bonds7

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

4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119312069) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
PubChem CID119312069
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
SMILESCCc1cccc(NC(=O)CNC(=O)CCCN)c1.Cl
InChIInChI=1S/C14H21N3O2.ClH/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);1H
InChIKeyOXRRWHDDGOGNRO-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
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
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979
N-(3-ethylphenyl)decanamide
CID 4053743
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
7-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]heptanamide;hydrochloride
CID 119719678
3-[[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]acetyl]amino]benzamide
CID 144762883

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride (CID 119312069) is 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride is CCc1cccc(NC(=O)CNC(=O)CCCN)c1.Cl.
What is the InChIKey of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is OXRRWHDDGOGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/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);1H.
What are the key properties of 4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride?
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.46, 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;hydrochloride is sourced from PubChem (CID 119312069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).