(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide

C19H23N3O2 — CID 125166844

IUPAC(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c20-15-7-6-13-22(14-12-15)19(23)21-17-10-4-5-11-18(17)24-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14,20H2,(H,21,23)/t15-/m1/s1
InChIKeyORYQSNXWDAMSAN-OAHLLOKOSA-N
MW325.41 g/mol
LogP3.82
Rot. Bonds3

About (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide

(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide (PubChem CID 125166844) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
PubChem CID125166844
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
SMILESN[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c20-15-7-6-13-22(14-12-15)19(23)21-17-10-4-5-11-18(17)24-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14,20H2,(H,21,23)/t15-/m1/s1
InChIKeyORYQSNXWDAMSAN-OAHLLOKOSA-N
XLogP3.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
N-(5-fluoro-2-phenoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110929978
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 112824865
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide?
The IUPAC name of (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide (CID 125166844) is (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide.
What is the SMILES notation for (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide?
The canonical SMILES for (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide is N[C@@H]1CCCN(C(=O)Nc2ccccc2Oc2ccccc2)CC1.
What is the InChIKey of (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide?
The InChIKey is ORYQSNXWDAMSAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-15-7-6-13-22(14-12-15)19(23)21-17-10-4-5-11-18(17)24-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14,20H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide?
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide is sourced from PubChem (CID 125166844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).