N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

C20H28N2O3 — CID 53147751

IUPACN-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCOCCN1C(=O)Cc2ccccc2C1C(=O)NCC1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-25-12-11-22-18(23)13-16-9-5-6-10-17(16)19(22)20(24)21-14-15-7-3-2-4-8-15/h5-6,9-10,15,19H,2-4,7-8,11-14H2,1H3,(H,21,24)
InChIKeyJLVPJDDVCHCDIU-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.46
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide

N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (PubChem CID 53147751) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
PubChem CID53147751
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
SMILESCOCCN1C(=O)Cc2ccccc2C1C(=O)NCC1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-25-12-11-22-18(23)13-16-9-5-6-10-17(16)19(22)20(24)21-14-15-7-3-2-4-8-15/h5-6,9-10,15,19H,2-4,7-8,11-14H2,1H3,(H,21,24)
InChIKeyJLVPJDDVCHCDIU-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-bis(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147731
N-[(2-bromophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147773
(1S)-N-[(3-chlorophenyl)methyl]-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096579
(1S)-2-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096602
2-(2-methoxyethyl)-3-oxo-N-(1-phenylethyl)-1,4-dihydroisoquinoline-1-carboxamide
CID 53147729
2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147763
(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096121
(1S)-N-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096252
N-(cyclohexylmethyl)-2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53167592
(1R)-2-ethyl-N-[(4-methoxyphenyl)methyl]-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096125
N-[(4-bromophenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147587
N-[(4-ethoxyphenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147599

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide (CID 53147751) is N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is COCCN1C(=O)Cc2ccccc2C1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
The InChIKey is JLVPJDDVCHCDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-25-12-11-22-18(23)13-16-9-5-6-10-17(16)19(22)20(24)21-14-15-7-3-2-4-8-15/h5-6,9-10,15,19H,2-4,7-8,11-14H2,1H3,(H,21,24).
What are the key properties of N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide?
N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide is sourced from PubChem (CID 53147751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).