4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid

C22H24N2O3 — CID 122024905

IUPAC4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2Cc3ccccc3-c3ccccc3C2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(26)15-9-11-18(12-10-15)23-22(27)24-13-16-5-1-3-7-19(16)20-8-4-2-6-17(20)14-24/h1-8,15,18H,9-14H2,(H,23,27)(H,25,26)
InChIKeyWRRXMFCGDDWZKY-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.02
Rot. Bonds2

About 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid

4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 122024905) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID122024905
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2Cc3ccccc3-c3ccccc3C2)CC1
InChIInChI=1S/C22H24N2O3/c25-21(26)15-9-11-18(12-10-15)23-22(27)24-13-16-5-1-3-7-19(16)20-8-4-2-6-17(20)14-24/h1-8,15,18H,9-14H2,(H,23,27)(H,25,26)
InChIKeyWRRXMFCGDDWZKY-UHFFFAOYSA-N
XLogP4.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023627
4-[(5-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024527
2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 64815389
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
2-(cyclopentylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262768
4-[(7-bromo-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024036
4-[[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024164
4-[[3-(phenoxymethyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023727
4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229704
4-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 66397056
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid (CID 122024905) is 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2Cc3ccccc3-c3ccccc3C2)CC1.
What is the InChIKey of 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WRRXMFCGDDWZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(26)15-9-11-18(12-10-15)23-22(27)24-13-16-5-1-3-7-19(16)20-8-4-2-6-17(20)14-24/h1-8,15,18H,9-14H2,(H,23,27)(H,25,26).
What are the key properties of 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid?
4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 364.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).