N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

C23H24N2O3 — CID 3651901

IUPACN-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESCn1c(CN(C(=O)c2ccc3c(c2)OCCCO3)C2CC2)cc2ccccc21
InChIInChI=1S/C23H24N2O3/c1-24-19(13-16-5-2-3-6-20(16)24)15-25(18-8-9-18)23(26)17-7-10-21-22(14-17)28-12-4-11-27-21/h2-3,5-7,10,13-14,18H,4,8-9,11-12,15H2,1H3
InChIKeyVZDZKJNWWJBZFE-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.14
Rot. Bonds4

About N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (PubChem CID 3651901) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
PubChem CID3651901
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
SMILESCn1c(CN(C(=O)c2ccc3c(c2)OCCCO3)C2CC2)cc2ccccc21
InChIInChI=1S/C23H24N2O3/c1-24-19(13-16-5-2-3-6-20(16)24)15-25(18-8-9-18)23(26)17-7-10-21-22(14-17)28-12-4-11-27-21/h2-3,5-7,10,13-14,18H,4,8-9,11-12,15H2,1H3
InChIKeyVZDZKJNWWJBZFE-UHFFFAOYSA-N
XLogP4.14
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylindol-2-yl)methyl]-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42796302
N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51113425
N-cyclohexyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 1057084
N-(2-indol-1-ylethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 71703482
N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide;hydrochloride
CID 119443523
2-[cyclopropyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 119194680
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-1-methylindole-2-carboxamide
CID 51093220
N-[(1-methylindol-2-yl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]oxolane-2-carboxamide
CID 42791908
N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide
CID 5041159
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788859
N-[(2R)-butan-2-yl]-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 7361350

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide (CID 3651901) is N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is Cn1c(CN(C(=O)c2ccc3c(c2)OCCCO3)C2CC2)cc2ccccc21.
What is the InChIKey of N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
The InChIKey is VZDZKJNWWJBZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-24-19(13-16-5-2-3-6-20(16)24)15-25(18-8-9-18)23(26)17-7-10-21-22(14-17)28-12-4-11-27-21/h2-3,5-7,10,13-14,18H,4,8-9,11-12,15H2,1H3.
What are the key properties of N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide?
N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1-methylindol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide is sourced from PubChem (CID 3651901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).