N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide

C18H22N2O — CID 43297646

IUPACN-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(C)c2cccc(N)c2)cc1
InChIInChI=1S/C18H22N2O/c1-12(2)14-7-9-15(10-8-14)18(21)20-13(3)16-5-4-6-17(19)11-16/h4-13H,19H2,1-3H3,(H,20,21)
InChIKeyDGFJSKHBDPFGSB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide

N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide (PubChem CID 43297646) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
PubChem CID43297646
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC(C)c2cccc(N)c2)cc1
InChIInChI=1S/C18H22N2O/c1-12(2)14-7-9-15(10-8-14)18(21)20-13(3)16-5-4-6-17(19)11-16/h4-13H,19H2,1-3H3,(H,20,21)
InChIKeyDGFJSKHBDPFGSB-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
CID 114818581
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide (CID 43297646) is N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC(C)c2cccc(N)c2)cc1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide?
The InChIKey is DGFJSKHBDPFGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)14-7-9-15(10-8-14)18(21)20-13(3)16-5-4-6-17(19)11-16/h4-13H,19H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide?
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 43297646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).