2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide

C20H26N2O — CID 119781845

IUPAC2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(CCCNC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-9-5-16(6-10-18)4-3-13-22-20(23)14-17-7-11-19(21)12-8-17/h5-12,15H,3-4,13-14,21H2,1-2H3,(H,22,23)
InChIKeyJTQGKQDNRLIQFU-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.68
Rot. Bonds7

About 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide

2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide (PubChem CID 119781845) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
PubChem CID119781845
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
SMILESCC(C)c1ccc(CCCNC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-15(2)18-9-5-16(6-10-18)4-3-13-22-20(23)14-17-7-11-19(21)12-8-17/h5-12,15H,3-4,13-14,21H2,1-2H3,(H,22,23)
InChIKeyJTQGKQDNRLIQFU-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-aminophenyl)propyl]-2-(4-chlorophenyl)acetamide
CID 39426671
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]propylcarbamic acid
CID 71019277
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
methyl 4-[[2-(4-aminophenyl)acetyl]amino]butanoate
CID 61274710
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
2-[4-(1-aminoethyl)phenyl]-N-(3-aminopropyl)acetamide
CID 123947658

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide (CID 119781845) is 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide is CC(C)c1ccc(CCCNC(=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide?
The InChIKey is JTQGKQDNRLIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)18-9-5-16(6-10-18)4-3-13-22-20(23)14-17-7-11-19(21)12-8-17/h5-12,15H,3-4,13-14,21H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide?
2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-(4-propan-2-ylphenyl)propyl]acetamide is sourced from PubChem (CID 119781845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).