N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

C22H25N3O3 — CID 108510820

IUPACN-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)Nc1ccccc1C(N)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O3/c1-2-18(16-12-11-14-7-3-4-8-15(14)13-16)24-21(27)22(28)25-19-10-6-5-9-17(19)20(23)26/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyJGGBKMIAXZSHHP-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.87
Rot. Bonds5

About N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (PubChem CID 108510820) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
PubChem CID108510820
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)Nc1ccccc1C(N)=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H25N3O3/c1-2-18(16-12-11-14-7-3-4-8-15(14)13-16)24-21(27)22(28)25-19-10-6-5-9-17(19)20(23)26/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyJGGBKMIAXZSHHP-UHFFFAOYSA-N
XLogP2.87
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510829
N-(2,4-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510706
N-(2,4-dichlorophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108502741
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108866819
N-(2-ethyl-6-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510687
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029
methyl 2-[[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-1-enyl]amino]benzoate
CID 108848119
N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510725
N-(2-carbamoylphenyl)-N'-propan-2-yloxamide
CID 108503318

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The IUPAC name of N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (CID 108510820) is N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is CCC(NC(=O)C(=O)Nc1ccccc1C(N)=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The InChIKey is JGGBKMIAXZSHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-2-18(16-12-11-14-7-3-4-8-15(14)13-16)24-21(27)22(28)25-19-10-6-5-9-17(19)20(23)26/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,23,26)(H,24,27)(H,25,28).
What are the key properties of N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide has a molecular weight of 379.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is sourced from PubChem (CID 108510820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).