N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide

C17H27N3O2 — CID 144843106

IUPACN-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCCNCCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-22-16-9-7-15(8-10-16)19-17(21)20-13-5-2-3-11-18-12-4-6-14-20/h7-10,18H,2-6,11-14H2,1H3,(H,19,21)
InChIKeyUFOCAAAKLVBKMO-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.08
Rot. Bonds2

About N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide

N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide (PubChem CID 144843106) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
PubChem CID144843106
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCCNCCCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-22-16-9-7-15(8-10-16)19-17(21)20-13-5-2-3-11-18-12-4-6-14-20/h7-10,18H,2-6,11-14H2,1H3,(H,19,21)
InChIKeyUFOCAAAKLVBKMO-UHFFFAOYSA-N
XLogP3.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine
CID 144843100
N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;N-methylethanamine;2-phenylethynylbenzene
CID 144843104
N-(4-methoxyphenyl)diazepane-1-carboxamide
CID 142097805
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
1,3-diphenylpyrrole;methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide
CID 144843125
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
N-(4-methoxyphenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235204
N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 169490460
[4-(piperidine-1-carbonylamino)phenyl] hypofluorite
CID 71166566

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide (CID 144843106) is N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide is COc1ccc(NC(=O)N2CCCCCNCCCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide?
The InChIKey is UFOCAAAKLVBKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-22-16-9-7-15(8-10-16)19-17(21)20-13-5-2-3-11-18-12-4-6-14-20/h7-10,18H,2-6,11-14H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide?
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide is sourced from PubChem (CID 144843106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).