CID 59303659

C13H15NO2 — CID 59303659

IUPAC—
SMILES[CH]C(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H15NO2/c1-11(15)13-4-2-12(3-5-13)10-14-6-8-16-9-7-14/h1-5H,6-10H2
InChIKeyBOTRXNKSNKDPDQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.41
Rot. Bonds3

About CID 59303659

CID 59303659 (PubChem CID 59303659) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol.

Molecular Properties

Compound NameCID 59303659
PubChem CID59303659
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name—
SMILES[CH]C(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C13H15NO2/c1-11(15)13-4-2-12(3-5-13)10-14-6-8-16-9-7-14/h1-5H,6-10H2
InChIKeyBOTRXNKSNKDPDQ-UHFFFAOYSA-N
XLogP1.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
4-[4-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724224
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
(2-fluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724246
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525

Frequently Asked Questions

What is the IUPAC name of CID 59303659?
The IUPAC name of CID 59303659 (CID 59303659) is not available.
What is the SMILES notation for CID 59303659?
The canonical SMILES for CID 59303659 is [CH]C(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of CID 59303659?
The InChIKey is BOTRXNKSNKDPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-11(15)13-4-2-12(3-5-13)10-14-6-8-16-9-7-14/h1-5H,6-10H2.
What are the key properties of CID 59303659?
CID 59303659 has a molecular weight of 217.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303659 is sourced from PubChem (CID 59303659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).