N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide

C22H26N2O — CID 54147834

IUPACN-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide
SMILESCCC(=O)N(CC=Cc1ccccc1)C1CCc2c(N)cccc2C1
InChIInChI=1S/C22H26N2O/c1-2-22(25)24(15-7-10-17-8-4-3-5-9-17)19-13-14-20-18(16-19)11-6-12-21(20)23/h3-12,19H,2,13-16,23H2,1H3
InChIKeyOFQCFXKOQIQJQA-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.08
Rot. Bonds5

About N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide

N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide (PubChem CID 54147834) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide
PubChem CID54147834
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide
SMILESCCC(=O)N(CC=Cc1ccccc1)C1CCc2c(N)cccc2C1
InChIInChI=1S/C22H26N2O/c1-2-22(25)24(15-7-10-17-8-4-3-5-9-17)19-13-14-20-18(16-19)11-6-12-21(20)23/h3-12,19H,2,13-16,23H2,1H3
InChIKeyOFQCFXKOQIQJQA-UHFFFAOYSA-N
XLogP4.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 19773414
(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 18650733
[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 70190052
6-N-ethyl-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836516
(2S)-2-amino-5-[cyclopropyl-[(E)-3-phenylprop-2-enyl]amino]-5-oxopentanoic acid
CID 134704642
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
6-N-(4-phenylbutyl)-6-N-propyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 19773355
3,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 42696857
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
CID 19710204
2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 114456129

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide?
The IUPAC name of N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide (CID 54147834) is N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide.
What is the SMILES notation for N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide?
The canonical SMILES for N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide is CCC(=O)N(CC=Cc1ccccc1)C1CCc2c(N)cccc2C1.
What is the InChIKey of N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide?
The InChIKey is OFQCFXKOQIQJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-22(25)24(15-7-10-17-8-4-3-5-9-17)19-13-14-20-18(16-19)11-6-12-21(20)23/h3-12,19H,2,13-16,23H2,1H3.
What are the key properties of N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide?
N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(3-phenylprop-2-enyl)propanamide is sourced from PubChem (CID 54147834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).