(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide

C23H25N3O3 — CID 94625699

IUPAC(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(29-21-12-6-18(16-24)7-13-21)22(27)25-20-10-8-19(9-11-20)23(28)26-14-4-2-3-5-15-26/h6-13,17H,2-5,14-15H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyFLAHBYGFAFTYPN-QGZVFWFLSA-N
MW391.47 g/mol
LogP3.98
Rot. Bonds5

About (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide

(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide (PubChem CID 94625699) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide
PubChem CID94625699
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-17(29-21-12-6-18(16-24)7-13-21)22(27)25-20-10-8-19(9-11-20)23(28)26-14-4-2-3-5-15-26/h6-13,17H,2-5,14-15H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyFLAHBYGFAFTYPN-QGZVFWFLSA-N
XLogP3.98
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 87037828
2-(4-methoxyphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196356
(2R)-2-(4-cyanophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7503277
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
2-(4-cyanophenoxy)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 47034520
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196352
(2S)-2-(4-cyanophenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 8502873
2-(4-methylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194734

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide?
The IUPAC name of (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide (CID 94625699) is (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide?
The InChIKey is FLAHBYGFAFTYPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17(29-21-12-6-18(16-24)7-13-21)22(27)25-20-10-8-19(9-11-20)23(28)26-14-4-2-3-5-15-26/h6-13,17H,2-5,14-15H2,1H3,(H,25,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide?
(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 94625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).