N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride

C14H22ClN3O2 — CID 119549003

IUPACN-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-3-13(18)17-10-14(19)16-9-8-11-4-6-12(15)7-5-11;/h4-7H,2-3,8-10,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyRIZUAVFVQRZQBI-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.27
Rot. Bonds7

About N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride

N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119549003) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
PubChem CID119549003
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride
SMILESCCCC(=O)NCC(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-2-3-13(18)17-10-14(19)16-9-8-11-4-6-12(15)7-5-11;/h4-7H,2-3,8-10,15H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyRIZUAVFVQRZQBI-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
CID 119549004
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
4-[2-(butanoylamino)ethyl]benzoic acid
CID 43665716
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
CID 119548257
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309735
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride (CID 119549003) is N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride is CCCC(=O)NCC(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is RIZUAVFVQRZQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-2-3-13(18)17-10-14(19)16-9-8-11-4-6-12(15)7-5-11;/h4-7H,2-3,8-10,15H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride?
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide;hydrochloride is sourced from PubChem (CID 119549003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).