N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide

C23H30N2O2 — CID 124846032

IUPACN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NC[C@@H](c1ccccc1)N1CCCCCC1
InChIInChI=1S/C23H30N2O2/c26-21-13-10-19(11-14-21)12-15-23(27)24-18-22(20-8-4-3-5-9-20)25-16-6-1-2-7-17-25/h3-5,8-11,13-14,22,26H,1-2,6-7,12,15-18H2,(H,24,27)/t22-/m0/s1
InChIKeyIBIBZHFVAGLXOR-QFIPXVFZSA-N
MW366.51 g/mol
LogP4.06
Rot. Bonds7

About N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 124846032) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID124846032
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccc(O)cc1)NC[C@@H](c1ccccc1)N1CCCCCC1
InChIInChI=1S/C23H30N2O2/c26-21-13-10-19(11-14-21)12-15-23(27)24-18-22(20-8-4-3-5-9-20)25-16-6-1-2-7-17-25/h3-5,8-11,13-14,22,26H,1-2,6-7,12,15-18H2,(H,24,27)/t22-/m0/s1
InChIKeyIBIBZHFVAGLXOR-QFIPXVFZSA-N
XLogP4.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 134024332
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CID 112506628
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
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3-acetamido-N-(2-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110355080
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
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3-(3-oxo-1,2-oxazol-5-yl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]propanamide
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N-[2-(azepan-1-yl)-2-phenylethyl]-3-(methanesulfonamido)propanamide
CID 118765593
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide (CID 124846032) is N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide is O=C(CCc1ccc(O)cc1)NC[C@@H](c1ccccc1)N1CCCCCC1.
What is the InChIKey of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is IBIBZHFVAGLXOR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-21-13-10-19(11-14-21)12-15-23(27)24-18-22(20-8-4-3-5-9-20)25-16-6-1-2-7-17-25/h3-5,8-11,13-14,22,26H,1-2,6-7,12,15-18H2,(H,24,27)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide?
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 124846032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).