4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide

C23H27N3O2 — CID 74243293

IUPAC4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C23H27N3O2/c27-22(20-8-4-9-20)25-14-5-15-26(17-16-25)23(28)24-21-12-10-19(11-13-21)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-17H2,(H,24,28)
InChIKeyRFHCKCDMJQOCQB-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.22
Rot. Bonds3

About 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide

4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 74243293) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
PubChem CID74243293
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C23H27N3O2/c27-22(20-8-4-9-20)25-14-5-15-26(17-16-25)23(28)24-21-12-10-19(11-13-21)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-17H2,(H,24,28)
InChIKeyRFHCKCDMJQOCQB-UHFFFAOYSA-N
XLogP4.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
4-formyl-N-(4-phenylphenyl)piperazine-1-carboxamide
CID 23992135
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
N-(4-chlorophenyl)-4-(1-methylpiperidine-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138809661
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide (CID 74243293) is 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is RFHCKCDMJQOCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(20-8-4-9-20)25-14-5-15-26(17-16-25)23(28)24-21-12-10-19(11-13-21)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-17H2,(H,24,28).
What are the key properties of 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide?
4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-N-(4-phenylphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 74243293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).