(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide

C22H26N2O3 — CID 92714959

IUPAC(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
SMILESCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1CCCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-27-16-8-14-23-21(25)20-18-12-5-6-13-19(18)22(26)24(20)15-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,20H,7-8,11,14-16H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyFYKYTCHDQWBNRR-FQEVSTJZSA-N
MW366.46 g/mol
LogP2.97
Rot. Bonds9

About (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide

(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide (PubChem CID 92714959) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
PubChem CID92714959
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
SMILESCOCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1CCCc1ccccc1
InChIInChI=1S/C22H26N2O3/c1-27-16-8-14-23-21(25)20-18-12-5-6-13-19(18)22(26)24(20)15-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,20H,7-8,11,14-16H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyFYKYTCHDQWBNRR-FQEVSTJZSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 68851424
(1R)-N-(3-methoxypropyl)-2-[(4-methylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92714956
(1S)-2-[(4-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 92714955
2-(furan-2-ylmethyl)-N-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 22585725
(3R,4R)-2-(2-methoxyethyl)-N-(3-methoxypropyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 93020485
2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10786515
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
CID 68771820
N-benzyl-2-(3-methylbutyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68775114
(1R)-2-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-oxo-1H-isoindole-1-carboxamide
CID 92730762
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-[2-(4-methylphenyl)ethyl]-3-oxo-1H-isoindole-1-carboxamide
CID 3623873
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
(1R)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 92656066

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
The IUPAC name of (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide (CID 92714959) is (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide is COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N1CCCc1ccccc1.
What is the InChIKey of (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
The InChIKey is FYKYTCHDQWBNRR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-16-8-14-23-21(25)20-18-12-5-6-13-19(18)22(26)24(20)15-7-11-17-9-3-2-4-10-17/h2-6,9-10,12-13,20H,7-8,11,14-16H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide?
(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 92714959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).