N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide

C16H22N2O3 — CID 115672887

IUPACN-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
SMILESCC(NCc1ccc2c(c1)OCCCO2)C(=O)NC1CC1
InChIInChI=1S/C16H22N2O3/c1-11(16(19)18-13-4-5-13)17-10-12-3-6-14-15(9-12)21-8-2-7-20-14/h3,6,9,11,13,17H,2,4-5,7-8,10H2,1H3,(H,18,19)
InChIKeyIVVIIZTYTPBVCA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.60
Rot. Bonds5

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

N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide (PubChem CID 115672887) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
PubChem CID115672887
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
SMILESCC(NCc1ccc2c(c1)OCCCO2)C(=O)NC1CC1
InChIInChI=1S/C16H22N2O3/c1-11(16(19)18-13-4-5-13)17-10-12-3-6-14-15(9-12)21-8-2-7-20-14/h3,6,9,11,13,17H,2,4-5,7-8,10H2,1H3,(H,18,19)
InChIKeyIVVIIZTYTPBVCA-UHFFFAOYSA-N
XLogP1.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-N,N-dimethylpropanamide
CID 60871279
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000432
ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
CID 61498261
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946011
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)urea
CID 97219533
1-cyclobutyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propan-2-amine
CID 115706310
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pentanoic acid
CID 65054986
2-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopropyl-2-phenylacetamide
CID 18097364
2-(1,3-benzodioxol-5-ylmethylamino)-N-prop-2-ynylpropanamide
CID 60720092
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylbutanoic acid
CID 120510601

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide (CID 115672887) is N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide is CC(NCc1ccc2c(c1)OCCCO2)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide?
The InChIKey is IVVIIZTYTPBVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(16(19)18-13-4-5-13)17-10-12-3-6-14-15(9-12)21-8-2-7-20-14/h3,6,9,11,13,17H,2,4-5,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide?
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.60, 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-ylmethylamino)propanamide is sourced from PubChem (CID 115672887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).