N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide

C32H52N4O2 — CID 159801982

IUPACN-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N)c1.CCCCCCCCN(CCCCCCCC)c1cccc(NC(C)=O)c1
InChIInChI=1S/C24H42N2O.C8H10N2O/c1-4-6-8-10-12-14-19-26(20-15-13-11-9-7-5-2)24-18-16-17-23(21-24)25-22(3)27;1-6(11)10-8-4-2-3-7(9)5-8/h16-18,21H,4-15,19-20H2,1-3H3,(H,25,27);2-5H,9H2,1H3,(H,10,11)
InChIKeyNJXIZTJHBCMTGT-UHFFFAOYSA-N
MW524.79 g/mol
LogP8.40
Rot. Bonds17

About N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide

N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide (PubChem CID 159801982) has the molecular formula C32H52N4O2 and a molecular weight of 524.79 g/mol. Its IUPAC name is N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide
PubChem CID159801982
Molecular FormulaC32H52N4O2
Molecular Weight524.79 g/mol
Exact Mass524.41
IUPAC NameN-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N)c1.CCCCCCCCN(CCCCCCCC)c1cccc(NC(C)=O)c1
InChIInChI=1S/C24H42N2O.C8H10N2O/c1-4-6-8-10-12-14-19-26(20-15-13-11-9-7-5-2)24-18-16-17-23(21-24)25-22(3)27;1-6(11)10-8-4-2-3-7(9)5-8/h16-18,21H,4-15,19-20H2,1-3H3,(H,25,27);2-5H,9H2,1H3,(H,10,11)
InChIKeyNJXIZTJHBCMTGT-UHFFFAOYSA-N
XLogP8.40
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.79
LogP ≤ 58.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
3-(dihexylamino)benzoic acid
CID 139785875
N-(3-aminophenyl)-2-butylsulfanylacetamide
CID 43615706
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
3-(dioctylamino)phenol
CID 15734569
3-N-octadecylbenzene-1,3-diamine
CID 154090035
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
N-[3-[carbamoyl(hydroxy)amino]phenyl]acetamide
CID 141173761
N-(3-aminophenyl)-2-[butyl(methyl)amino]butanamide
CID 82224695
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
CID 154358903

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide?
The IUPAC name of N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide (CID 159801982) is N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide is CC(=O)Nc1cccc(N)c1.CCCCCCCCN(CCCCCCCC)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide?
The InChIKey is NJXIZTJHBCMTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O.C8H10N2O/c1-4-6-8-10-12-14-19-26(20-15-13-11-9-7-5-2)24-18-16-17-23(21-24)25-22(3)27;1-6(11)10-8-4-2-3-7(9)5-8/h16-18,21H,4-15,19-20H2,1-3H3,(H,25,27);2-5H,9H2,1H3,(H,10,11).
What are the key properties of N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide?
N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide has a molecular weight of 524.79 g/mol, XLogP of 8.40, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)acetamide;N-[3-(dioctylamino)phenyl]acetamide is sourced from PubChem (CID 159801982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).