(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide

C24H30N2O4 — CID 28632970

IUPAC(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C24H30N2O4/c1-3-22(30-19-12-10-11-18(17-19)29-2)23(27)25-21-14-7-6-13-20(21)24(28)26-15-8-4-5-9-16-26/h6-7,10-14,17,22H,3-5,8-9,15-16H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyWNNMAYXZRDVQCB-QFIPXVFZSA-N
MW410.51 g/mol
LogP4.51
Rot. Bonds7

About (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide

(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 28632970) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID28632970
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C24H30N2O4/c1-3-22(30-19-12-10-11-18(17-19)29-2)23(27)25-21-14-7-6-13-20(21)24(28)26-15-8-4-5-9-16-26/h6-7,10-14,17,22H,3-5,8-9,15-16H2,1-2H3,(H,25,27)/t22-/m0/s1
InChIKeyWNNMAYXZRDVQCB-QFIPXVFZSA-N
XLogP4.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 46764443
2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284266
(2R)-2-(3-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 92672077
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146
(2R)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633196
(2S)-2-naphthalen-2-yloxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 28633197
(2R)-2-naphthalen-1-yloxy-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 92682982
(2R)-2-(4-methoxyphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 26074932
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 38004411
(2R)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 40747464

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide (CID 28632970) is (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide is CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1.
What is the InChIKey of (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is WNNMAYXZRDVQCB-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-22(30-19-12-10-11-18(17-19)29-2)23(27)25-21-14-7-6-13-20(21)24(28)26-15-8-4-5-9-16-26/h6-7,10-14,17,22H,3-5,8-9,15-16H2,1-2H3,(H,25,27)/t22-/m0/s1.
What are the key properties of (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide?
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 410.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 28632970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).