(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide

C28H39N3O3 — CID 93125254

IUPAC(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c[nH]c2ccccc12
InChIInChI=1S/C28H39N3O3/c1-6-31(7-2)16-10-11-20(3)30-28(32)18-24(23-15-14-21(33-4)17-27(23)34-5)25-19-29-26-13-9-8-12-22(25)26/h8-9,12-15,17,19-20,24,29H,6-7,10-11,16,18H2,1-5H3,(H,30,32)/t20-,24-/m0/s1
InChIKeyOUROSODWOCSGEA-RDPSFJRHSA-N
MW465.64 g/mol
LogP5.33
Rot. Bonds13

About (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide

(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 93125254) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID93125254
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)CCC[C@H](C)NC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c[nH]c2ccccc12
InChIInChI=1S/C28H39N3O3/c1-6-31(7-2)16-10-11-20(3)30-28(32)18-24(23-15-14-21(33-4)17-27(23)34-5)25-19-29-26-13-9-8-12-22(25)26/h8-9,12-15,17,19-20,24,29H,6-7,10-11,16,18H2,1-5H3,(H,30,32)/t20-,24-/m0/s1
InChIKeyOUROSODWOCSGEA-RDPSFJRHSA-N
XLogP5.33
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 93125259
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(2-methoxyphenyl)propanamide
CID 93123831
N-benzhydryl-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 42804555
(3S)-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93125251
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46132436
(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
3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42804608
N-[5-(diethylamino)pentan-2-yl]-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 143048942
N-[(2R)-5-(diethylamino)pentan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117299
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
(3R)-3-(2,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 93125167

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide (CID 93125254) is (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide is CCN(CC)CCC[C@H](C)NC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is OUROSODWOCSGEA-RDPSFJRHSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-6-31(7-2)16-10-11-20(3)30-28(32)18-24(23-15-14-21(33-4)17-27(23)34-5)25-19-29-26-13-9-8-12-22(25)26/h8-9,12-15,17,19-20,24,29H,6-7,10-11,16,18H2,1-5H3,(H,30,32)/t20-,24-/m0/s1.
What are the key properties of (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide?
(3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 465.64 g/mol, XLogP of 5.33, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-5-(diethylamino)pentan-2-yl]-3-(2,4-dimethoxyphenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 93125254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).