N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide

C21H24N2O2 — CID 95729073

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C21H24N2O2/c24-21(19-6-2-1-5-18(19)17-9-10-22-14-17)23-13-15-7-8-20-16(12-15)4-3-11-25-20/h1-2,5-8,12,17,22H,3-4,9-11,13-14H2,(H,23,24)/t17-/m1/s1
InChIKeyVTTXHLIJRSSPQB-QGZVFWFLSA-N
MW336.44 g/mol
LogP3.02
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 95729073) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID95729073
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
SMILESO=C(NCc1ccc2c(c1)CCCO2)c1ccccc1[C@@H]1CCNC1
InChIInChI=1S/C21H24N2O2/c24-21(19-6-2-1-5-18(19)17-9-10-22-14-17)23-13-15-7-8-20-16(12-15)4-3-11-25-20/h1-2,5-8,12,17,22H,3-4,9-11,13-14H2,(H,23,24)/t17-/m1/s1
InChIKeyVTTXHLIJRSSPQB-QGZVFWFLSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
CID 115159530
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049
N-[(1-benzylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56895276
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 154877409
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95726988
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56900513
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 46971082
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66502657
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide (CID 95729073) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide is O=C(NCc1ccc2c(c1)CCCO2)c1ccccc1[C@@H]1CCNC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is VTTXHLIJRSSPQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(19-6-2-1-5-18(19)17-9-10-22-14-17)23-13-15-7-8-20-16(12-15)4-3-11-25-20/h1-2,5-8,12,17,22H,3-4,9-11,13-14H2,(H,23,24)/t17-/m1/s1.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95729073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).