2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C19H26N2O3 — CID 109399971

IUPAC2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCC(=O)N1Cc2ccccc2CC1C(=O)N(C)CC1CCCC1O
InChIInChI=1S/C19H26N2O3/c1-13(22)21-12-15-7-4-3-6-14(15)10-17(21)19(24)20(2)11-16-8-5-9-18(16)23/h3-4,6-7,16-18,23H,5,8-12H2,1-2H3
InChIKeyGZGZXKNRDSAYCI-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.58
Rot. Bonds3

About 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 109399971) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID109399971
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESCC(=O)N1Cc2ccccc2CC1C(=O)N(C)CC1CCCC1O
InChIInChI=1S/C19H26N2O3/c1-13(22)21-12-15-7-4-3-6-14(15)10-17(21)19(24)20(2)11-16-8-5-9-18(16)23/h3-4,6-7,16-18,23H,5,8-12H2,1-2H3
InChIKeyGZGZXKNRDSAYCI-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 110003645
(3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2303227
methyl (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 101383894
(3S)-2-[cyclopropylmethyl(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895781
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 110003994
2-acetyl-N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 111485754
1-benzoyl-N-[(2-hydroxycyclopentyl)methyl]-N-methylpiperidine-3-carboxamide
CID 109399792
3-[methoxy(methyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 87867655
2-(furan-2-carbonyl)-N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 110878103
(3S)-2-[methyl(propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895767
2-acetyl-N-benzhydryl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4879151
N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 109400408

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 109399971) is 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CC(=O)N1Cc2ccccc2CC1C(=O)N(C)CC1CCCC1O.
What is the InChIKey of 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is GZGZXKNRDSAYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(22)21-12-15-7-4-3-6-14(15)10-17(21)19(24)20(2)11-16-8-5-9-18(16)23/h3-4,6-7,16-18,23H,5,8-12H2,1-2H3.
What are the key properties of 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[(2-hydroxycyclopentyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 109399971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).