6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C16H23N3O2 — CID 173146343

IUPAC6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C)C(=O)N(C)Cc1ccc2c(c1)CCCC2C(N)=O
InChIInChI=1S/C16H23N3O2/c1-18(2)16(21)19(3)10-11-7-8-13-12(9-11)5-4-6-14(13)15(17)20/h7-9,14H,4-6,10H2,1-3H3,(H2,17,20)
InChIKeyPHANCTCGRLEVMC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.71
Rot. Bonds3

About 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 173146343) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID173146343
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCN(C)C(=O)N(C)Cc1ccc2c(c1)CCCC2C(N)=O
InChIInChI=1S/C16H23N3O2/c1-18(2)16(21)19(3)10-11-7-8-13-12(9-11)5-4-6-14(13)15(17)20/h7-9,14H,4-6,10H2,1-3H3,(H2,17,20)
InChIKeyPHANCTCGRLEVMC-UHFFFAOYSA-N
XLogP1.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3-hydroxypyrrolidin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 173179441
6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 173179416
6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 173179420
2,3-dihydro-1H-inden-5-ylmethyl(methyl)carbamothioic S-acid
CID 115170087
6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59021826
(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66755890
5-chloro-2,3-dihydro-1H-indene-1-carboxamide
CID 14857796
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190288
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993

Frequently Asked Questions

What is the IUPAC name of 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 173146343) is 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CN(C)C(=O)N(C)Cc1ccc2c(c1)CCCC2C(N)=O.
What is the InChIKey of 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is PHANCTCGRLEVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)16(21)19(3)10-11-7-8-13-12(9-11)5-4-6-14(13)15(17)20/h7-9,14H,4-6,10H2,1-3H3,(H2,17,20).
What are the key properties of 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[dimethylcarbamoyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 173146343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).