(3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide

C34H43N3O — CID 93298990

IUPAC(3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)C[C@H](c1ccc(C)cc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C34H43N3O/c1-5-36(6-2)22-12-13-27(4)35-34(38)23-31(29-20-18-26(3)19-21-29)32-25-37(24-28-14-8-7-9-15-28)33-17-11-10-16-30(32)33/h7-11,14-21,25,27,31H,5-6,12-13,22-24H2,1-4H3,(H,35,38)/t27-,31-/m1/s1
InChIKeyWXNWEJWELBDWKH-DLFZDVPBSA-N
MW509.74 g/mol
LogP7.15
Rot. Bonds13

About (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide

(3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide (PubChem CID 93298990) has the molecular formula C34H43N3O and a molecular weight of 509.74 g/mol. Its IUPAC name is (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide
PubChem CID93298990
Molecular FormulaC34H43N3O
Molecular Weight509.74 g/mol
Exact Mass509.34
IUPAC Name(3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)C[C@H](c1ccc(C)cc1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C34H43N3O/c1-5-36(6-2)22-12-13-27(4)35-34(38)23-31(29-20-18-26(3)19-21-29)32-25-37(24-28-14-8-7-9-15-28)33-17-11-10-16-30(32)33/h7-11,14-21,25,27,31H,5-6,12-13,22-24H2,1-4H3,(H,35,38)/t27-,31-/m1/s1
InChIKeyWXNWEJWELBDWKH-DLFZDVPBSA-N
XLogP7.15
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83277979
(3R)-3-(1-benzylindol-3-yl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 98276079
(3S)-3-(1-benzylindol-3-yl)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)propanamide
CID 98276075
(3R)-N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 93114906
(3S)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012615
(3S)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 93012616
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
CID 93114899
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 93120158
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 93012495
(3R)-N-[(2S)-butan-2-yl]-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]propanamide
CID 93012491

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide?
The IUPAC name of (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide (CID 93298990) is (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide is CCN(CC)CCC[C@@H](C)NC(=O)C[C@H](c1ccc(C)cc1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide?
The InChIKey is WXNWEJWELBDWKH-DLFZDVPBSA-N. The full InChI is InChI=1S/C34H43N3O/c1-5-36(6-2)22-12-13-27(4)35-34(38)23-31(29-20-18-26(3)19-21-29)32-25-37(24-28-14-8-7-9-15-28)33-17-11-10-16-30(32)33/h7-11,14-21,25,27,31H,5-6,12-13,22-24H2,1-4H3,(H,35,38)/t27-,31-/m1/s1.
What are the key properties of (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide?
(3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 509.74 g/mol, XLogP of 7.15, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzylindol-3-yl)-N-[(2R)-5-(diethylamino)pentan-2-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 93298990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).