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

C14H21N3O2 — CID 119549004

IUPACN-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/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)
InChIKeyKGPQJRITBQFADU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.84
Rot. Bonds7

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

N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide (PubChem CID 119549004) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
PubChem CID119549004
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/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)
InChIKeyKGPQJRITBQFADU-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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;hydrochloride
CID 119549003
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
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
CID 119548257
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309735

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide (CID 119549004) is N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NCCc1ccc(N)cc1.
What is the InChIKey of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide?
The InChIKey is KGPQJRITBQFADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/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).
What are the key properties of N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide?
N-[2-[2-(4-aminophenyl)ethylamino]-2-oxoethyl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.84, 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 is sourced from PubChem (CID 119549004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).