(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide

C29H31N3O3 — CID 93064292

IUPAC(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
SMILESO=C(C[C@@H](c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C29H31N3O3/c33-29(30-13-14-32-15-17-34-18-16-32)20-26(27-21-31-28-12-5-4-11-25(27)28)22-7-6-10-24(19-22)35-23-8-2-1-3-9-23/h1-12,19,21,26,31H,13-18,20H2,(H,30,33)/t26-/m0/s1
InChIKeyAKEVLXLRPAZZOZ-SANMLTNESA-N
MW469.59 g/mol
LogP4.93
Rot. Bonds9

About (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide

(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide (PubChem CID 93064292) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
PubChem CID93064292
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
SMILESO=C(C[C@@H](c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccccc12)NCCN1CCOCC1
InChIInChI=1S/C29H31N3O3/c33-29(30-13-14-32-15-17-34-18-16-32)20-26(27-21-31-28-12-5-4-11-25(27)28)22-7-6-10-24(19-22)35-23-8-2-1-3-9-23/h1-12,19,21,26,31H,13-18,20H2,(H,30,33)/t26-/m0/s1
InChIKeyAKEVLXLRPAZZOZ-SANMLTNESA-N
XLogP4.93
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42802261
(3R)-3-(4-fluorophenyl)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 93052060
(3S)-3-[3-(4-chlorophenoxy)phenyl]-N-(2-morpholin-4-ylethyl)-3-(5-nitro-1H-indol-3-yl)propanamide
CID 98444535
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide
CID 98438529
3-(3-chlorophenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42778001
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46131354
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 70160615
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804840
(3S)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443792
3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42774245
1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-3-(3-phenoxyphenyl)propan-1-one
CID 46122904

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide?
The IUPAC name of (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide (CID 93064292) is (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide?
The canonical SMILES for (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide is O=C(C[C@@H](c1cccc(Oc2ccccc2)c1)c1c[nH]c2ccccc12)NCCN1CCOCC1.
What is the InChIKey of (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide?
The InChIKey is AKEVLXLRPAZZOZ-SANMLTNESA-N. The full InChI is InChI=1S/C29H31N3O3/c33-29(30-13-14-32-15-17-34-18-16-32)20-26(27-21-31-28-12-5-4-11-25(27)28)22-7-6-10-24(19-22)35-23-8-2-1-3-9-23/h1-12,19,21,26,31H,13-18,20H2,(H,30,33)/t26-/m0/s1.
What are the key properties of (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide?
(3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide has a molecular weight of 469.59 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)-3-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 93064292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).