N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C21H25N3O2 — CID 119269057

IUPACN-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2Cc3ccccc3CN2)c1
InChIInChI=1S/C21H25N3O2/c1-3-24(4-2)21(26)16-10-7-11-18(12-16)23-20(25)19-13-15-8-5-6-9-17(15)14-22-19/h5-12,19,22H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQFHDYTUWRPSCSW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.82
Rot. Bonds5

About N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119269057) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119269057
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2Cc3ccccc3CN2)c1
InChIInChI=1S/C21H25N3O2/c1-3-24(4-2)21(26)16-10-7-11-18(12-16)23-20(25)19-13-15-8-5-6-9-17(15)14-22-19/h5-12,19,22H,3-4,13-14H2,1-2H3,(H,23,25)
InChIKeyQFHDYTUWRPSCSW-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
N-(3-iodophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43124629
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 126775656
(3S)-N-(4-fluoro-3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896468
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
(3S)-N-(3-iodo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896209
N-(3-ethoxy-4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119286177
N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 87003658
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692281

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119269057) is N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)C2Cc3ccccc3CN2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is QFHDYTUWRPSCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-24(4-2)21(26)16-10-7-11-18(12-16)23-20(25)19-13-15-8-5-6-9-17(15)14-22-19/h5-12,19,22H,3-4,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119269057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).