N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C20H22N2O2 — CID 122131725

IUPACN-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C20H22N2O2/c21-19(23)16-8-3-5-14(13-16)11-12-22-20(24)18-10-4-7-15-6-1-2-9-17(15)18/h1-3,5-6,8-9,13,18H,4,7,10-12H2,(H2,21,23)(H,22,24)
InChIKeyQPXVZJUCWJGFLR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.56
Rot. Bonds5

About N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 122131725) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID122131725
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=O)c1cccc(CCNC(=O)C2CCCc3ccccc32)c1
InChIInChI=1S/C20H22N2O2/c21-19(23)16-8-3-5-14(13-16)11-12-22-20(24)18-10-4-7-15-6-1-2-9-17(15)18/h1-3,5-6,8-9,13,18H,4,7,10-12H2,(H2,21,23)(H,22,24)
InChIKeyQPXVZJUCWJGFLR-UHFFFAOYSA-N
XLogP2.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
N-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61150664
N-(5-hydroxypentyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 107318401
N-[2-(3-carbamoylphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119315844
(1R)-N-[[3-(propan-2-ylamino)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 96537932
3-[2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamoylamino]ethyl]benzamide
CID 95303687
(1S)-N-(3-sulfamoylpropyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 94188090
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126783511
N-(3,3-dimethyl-2-oxobutyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64991886

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 122131725) is N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC(=O)c1cccc(CCNC(=O)C2CCCc3ccccc32)c1.
What is the InChIKey of N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is QPXVZJUCWJGFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c21-19(23)16-8-3-5-14(13-16)11-12-22-20(24)18-10-4-7-15-6-1-2-9-17(15)18/h1-3,5-6,8-9,13,18H,4,7,10-12H2,(H2,21,23)(H,22,24).
What are the key properties of N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 122131725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).