N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride

C15H21ClN2O4 — CID 119756162

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCCCO2)C1COCCN1
InChIInChI=1S/C15H20N2O4.ClH/c18-15(12-10-19-7-4-16-12)17-9-11-2-3-13-14(8-11)21-6-1-5-20-13;/h2-3,8,12,16H,1,4-7,9-10H2,(H,17,18);1H
InChIKeyFYRCHUYJJFJPTI-UHFFFAOYSA-N
MW328.80 g/mol
LogP0.87
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 119756162) has the molecular formula C15H21ClN2O4 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
PubChem CID119756162
Molecular FormulaC15H21ClN2O4
Molecular Weight328.80 g/mol
Exact Mass328.12
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2c(c1)OCCCO2)C1COCCN1
InChIInChI=1S/C15H20N2O4.ClH/c18-15(12-10-19-7-4-16-12)17-9-11-2-3-13-14(8-11)21-6-1-5-20-13;/h2-3,8,12,16H,1,4-7,9-10H2,(H,17,18);1H
InChIKeyFYRCHUYJJFJPTI-UHFFFAOYSA-N
XLogP0.87
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119307661
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119268706
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119720719
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120626507
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119862520
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
CID 119307672
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95719072

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride (CID 119756162) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2c(c1)OCCCO2)C1COCCN1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is FYRCHUYJJFJPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.ClH/c18-15(12-10-19-7-4-16-12)17-9-11-2-3-13-14(8-11)21-6-1-5-20-13;/h2-3,8,12,16H,1,4-7,9-10H2,(H,17,18);1H.
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 0.87, 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-ylmethyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119756162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).