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

C13H19N3O2 — CID 142097805

IUPACN-(4-methoxyphenyl)diazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCCN2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-12-7-5-11(6-8-12)15-13(17)16-10-4-2-3-9-14-16/h5-8,14H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyKTBQZOSXCJZIGT-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds2

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

N-(4-methoxyphenyl)diazepane-1-carboxamide (PubChem CID 142097805) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)diazepane-1-carboxamide
PubChem CID142097805
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(4-methoxyphenyl)diazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCCN2)cc1
InChIInChI=1S/C13H19N3O2/c1-18-12-7-5-11(6-8-12)15-13(17)16-10-4-2-3-9-14-16/h5-8,14H,2-4,9-10H2,1H3,(H,15,17)
InChIKeyKTBQZOSXCJZIGT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
N-(4-tert-butylphenyl)diazepane-1-carboxamide
CID 143680698
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
tert-butyl formate;N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 174768397
methanol;N-(4-methoxyphenyl)-1,6-diazecane-1-carboxamide;4-phenylpyridine
CID 144843100
N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 883440
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)diazepane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)diazepane-1-carboxamide (CID 142097805) is N-(4-methoxyphenyl)diazepane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)diazepane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)diazepane-1-carboxamide is COc1ccc(NC(=O)N2CCCCCN2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)diazepane-1-carboxamide?
The InChIKey is KTBQZOSXCJZIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-7-5-11(6-8-12)15-13(17)16-10-4-2-3-9-14-16/h5-8,14H,2-4,9-10H2,1H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)diazepane-1-carboxamide?
N-(4-methoxyphenyl)diazepane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)diazepane-1-carboxamide is sourced from PubChem (CID 142097805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).