N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide

C33H39N3O3 — CID 16750039

IUPACN-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide
SMILESC[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCN3CCCCC3)ccc12
InChIInChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-20-36-18-6-3-7-19-36)22-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1
InChIKeyFACGWONUFWMXPN-XMMPIXPASA-N
MW525.69 g/mol
LogP6.09
Rot. Bonds11

About N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide

N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide (PubChem CID 16750039) has the molecular formula C33H39N3O3 and a molecular weight of 525.69 g/mol. Its IUPAC name is N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide
PubChem CID16750039
Molecular FormulaC33H39N3O3
Molecular Weight525.69 g/mol
Exact Mass525.30
IUPAC NameN-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide
SMILESC[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCN3CCCCC3)ccc12
InChIInChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-20-36-18-6-3-7-19-36)22-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1
InChIKeyFACGWONUFWMXPN-XMMPIXPASA-N
XLogP6.09
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.69
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide (CID 16750039) is N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide is C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2cc(OCCN3CCCCC3)ccc12.
What is the InChIKey of N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide?
The InChIKey is FACGWONUFWMXPN-XMMPIXPASA-N. The full InChI is InChI=1S/C33H39N3O3/c1-24(10-11-25-12-14-27(37)15-13-25)34-32(38)23-30-29-17-16-28(39-21-20-36-18-6-3-7-19-36)22-31(29)35-33(30)26-8-4-2-5-9-26/h2,4-5,8-9,12-17,22,24,35,37H,3,6-7,10-11,18-21,23H2,1H3,(H,34,38)/t24-/m1/s1.
What are the key properties of N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide?
N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide has a molecular weight of 525.69 g/mol, XLogP of 6.09, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-[2-phenyl-6-(2-piperidin-1-ylethoxy)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 16750039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).