N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide

C16H22N2O2 — CID 110460533

IUPACN-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)CN(C1CCCC1)C2
InChIInChI=1S/C16H22N2O2/c1-20-11-16(19)17-14-7-6-12-9-18(10-13(12)8-14)15-4-2-3-5-15/h6-8,15H,2-5,9-11H2,1H3,(H,17,19)
InChIKeyNFAUOIDJLBEWHA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.53
Rot. Bonds4

About N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide

N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide (PubChem CID 110460533) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide
PubChem CID110460533
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)CN(C1CCCC1)C2
InChIInChI=1S/C16H22N2O2/c1-20-11-16(19)17-14-7-6-12-9-18(10-13(12)8-14)15-4-2-3-5-15/h6-8,15H,2-5,9-11H2,1H3,(H,17,19)
InChIKeyNFAUOIDJLBEWHA-UHFFFAOYSA-N
XLogP2.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110459292
3-chloro-N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110461021
methyl 7-[(2-methoxyacetyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 121034747
N-[4-(cyclopentylamino)phenyl]-2-methoxyacetamide
CID 43717401
N-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)benzamide
CID 110461592
2-methoxy-N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
CID 16930520
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
2-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 16835177
(3R)-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167997
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 56800969
(3R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95167995
N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-methoxyacetamide
CID 16943271

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide?
The IUPAC name of N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide (CID 110460533) is N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide?
The canonical SMILES for N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide is COCC(=O)Nc1ccc2c(c1)CN(C1CCCC1)C2.
What is the InChIKey of N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide?
The InChIKey is NFAUOIDJLBEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-11-16(19)17-14-7-6-12-9-18(10-13(12)8-14)15-4-2-3-5-15/h6-8,15H,2-5,9-11H2,1H3,(H,17,19).
What are the key properties of N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide?
N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-1,3-dihydroisoindol-5-yl)-2-methoxyacetamide is sourced from PubChem (CID 110460533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).