N-(4-tert-butylphenyl)diazepane-1-carboxamide

C16H25N3O — CID 143680698

IUPACN-(4-tert-butylphenyl)diazepane-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCCCCN2)cc1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-7-9-14(10-8-13)18-15(20)19-12-6-4-5-11-17-19/h7-10,17H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyPBLQSHUTRYNDCC-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.51
Rot. Bonds1

About N-(4-tert-butylphenyl)diazepane-1-carboxamide

N-(4-tert-butylphenyl)diazepane-1-carboxamide (PubChem CID 143680698) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)diazepane-1-carboxamide
PubChem CID143680698
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-tert-butylphenyl)diazepane-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCCCCN2)cc1
InChIInChI=1S/C16H25N3O/c1-16(2,3)13-7-9-14(10-8-13)18-15(20)19-12-6-4-5-11-17-19/h7-10,17H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyPBLQSHUTRYNDCC-UHFFFAOYSA-N
XLogP3.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)diazepane-1-carboxamide
CID 142097805
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(4-methylphenyl)diazinane-1-carbothioamide
CID 71393739
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
4-tert-butyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzamide
CID 110666699
1-(4-tert-butylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298783
N-(4-tert-butylphenyl)-4-(3,3-dimethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 59143461
(2S)-N-(4-tert-butylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104512
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182819

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)diazepane-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)diazepane-1-carboxamide (CID 143680698) is N-(4-tert-butylphenyl)diazepane-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)diazepane-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)diazepane-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCCCCN2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)diazepane-1-carboxamide?
The InChIKey is PBLQSHUTRYNDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,3)13-7-9-14(10-8-13)18-15(20)19-12-6-4-5-11-17-19/h7-10,17H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-(4-tert-butylphenyl)diazepane-1-carboxamide?
N-(4-tert-butylphenyl)diazepane-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)diazepane-1-carboxamide is sourced from PubChem (CID 143680698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).