N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

C13H19N3O2 — CID 16771863

IUPACN-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCNCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-12-5-3-11(4-6-12)15-13(17)16-9-2-7-14-8-10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyZWRXCNHQYAWYMM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.52
Rot. Bonds2

About N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide

N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 16771863) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
PubChem CID16771863
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCNCC2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-12-5-3-11(4-6-12)15-13(17)16-9-2-7-14-8-10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17)
InChIKeyZWRXCNHQYAWYMM-UHFFFAOYSA-N
XLogP1.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
N-phenyl-1,4-diazepane-1-carboxamide;hydrochloride
CID 42886604
methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine
CID 144843100
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
N-(4-methoxyphenyl)diazepane-1-carboxamide
CID 142097805
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperazine-1-carboxamide
CID 95481288
N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;N-methylethanamine;2-phenylethynylbenzene
CID 144843104
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
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide (CID 16771863) is N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide is COc1ccc(NC(=O)N2CCCNCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is ZWRXCNHQYAWYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-5-3-11(4-6-12)15-13(17)16-9-2-7-14-8-10-16/h3-6,14H,2,7-10H2,1H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide?
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 16771863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).