N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide

C20H22N2O3 — CID 78807692

IUPACN-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
SMILESO=C(NC1CC1)C(Nc1ccc2c(c1)OCCCO2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c23-20(22-15-7-8-15)19(14-5-2-1-3-6-14)21-16-9-10-17-18(13-16)25-12-4-11-24-17/h1-3,5-6,9-10,13,15,19,21H,4,7-8,11-12H2,(H,22,23)
InChIKeyYMENVZPILDSGHC-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.28
Rot. Bonds5

About N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide

N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide (PubChem CID 78807692) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
PubChem CID78807692
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
SMILESO=C(NC1CC1)C(Nc1ccc2c(c1)OCCCO2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c23-20(22-15-7-8-15)19(14-5-2-1-3-6-14)21-16-9-10-17-18(13-16)25-12-4-11-24-17/h1-3,5-6,9-10,13,15,19,21H,4,7-8,11-12H2,(H,22,23)
InChIKeyYMENVZPILDSGHC-UHFFFAOYSA-N
XLogP3.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509426
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 39912469
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide
CID 18097364
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 8934021
(2S)-2-(1,3-benzodioxol-5-ylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41119455
N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide
CID 126770182
(2S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 8896524
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide (CID 78807692) is N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide is O=C(NC1CC1)C(Nc1ccc2c(c1)OCCCO2)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide?
The InChIKey is YMENVZPILDSGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20(22-15-7-8-15)19(14-5-2-1-3-6-14)21-16-9-10-17-18(13-16)25-12-4-11-24-17/h1-3,5-6,9-10,13,15,19,21H,4,7-8,11-12H2,(H,22,23).
What are the key properties of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide?
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide has a molecular weight of 338.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide is sourced from PubChem (CID 78807692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).