N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide

C15H20N2O4 — CID 61213291

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc3c(c2)OCCCO3)C1
InChIInChI=1S/C15H20N2O4/c1-19-11-8-12(16-9-11)15(18)17-10-3-4-13-14(7-10)21-6-2-5-20-13/h3-4,7,11-12,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyHPGLLFBQHWKOPJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.16
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61213291) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID61213291
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccc3c(c2)OCCCO3)C1
InChIInChI=1S/C15H20N2O4/c1-19-11-8-12(16-9-11)15(18)17-10-3-4-13-14(7-10)21-6-2-5-20-13/h3-4,7,11-12,16H,2,5-6,8-9H2,1H3,(H,17,18)
InChIKeyHPGLLFBQHWKOPJ-UHFFFAOYSA-N
XLogP1.16
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214159
trans-(1S,2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylcyclopropane-1-carboxamide
CID 30795803
N-(3-iodophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214459
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpiperidine-4-carboxamide
CID 106738548
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
N-(6-chloro-1,3-benzodioxol-5-yl)-4-methoxypyrrolidine-2-carboxamide
CID 61215348
N-(3-chloro-4-nitrophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 82864769
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
3-[4-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 115339970
(2R,4R)-4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-2-carboxamide
CID 68643691
N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
CID 63103835
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide (CID 61213291) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccc3c(c2)OCCCO3)C1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is HPGLLFBQHWKOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-11-8-12(16-9-11)15(18)17-10-3-4-13-14(7-10)21-6-2-5-20-13/h3-4,7,11-12,16H,2,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61213291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).