2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

C25H33N3O2 — CID 43061749

IUPAC2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCCN(CCC)CC(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H33N3O2/c1-4-14-28(15-5-2)18-25(29)27-16-22(19-10-12-20(30-3)13-11-19)23-17-26-24-9-7-6-8-21(23)24/h6-13,17,22,26H,4-5,14-16,18H2,1-3H3,(H,27,29)
InChIKeyRODCWNKEFLLCQO-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.55
Rot. Bonds11

About 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 43061749) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID43061749
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCCCN(CCC)CC(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C25H33N3O2/c1-4-14-28(15-5-2)18-25(29)27-16-22(19-10-12-20(30-3)13-11-19)23-17-26-24-9-7-6-8-21(23)24/h6-13,17,22,26H,4-5,14-16,18H2,1-3H3,(H,27,29)
InChIKeyRODCWNKEFLLCQO-UHFFFAOYSA-N
XLogP4.55
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 16577880
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289695
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 25499108
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (CID 43061749) is 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is CCCN(CCC)CC(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is RODCWNKEFLLCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-14-28(15-5-2)18-25(29)27-16-22(19-10-12-20(30-3)13-11-19)23-17-26-24-9-7-6-8-21(23)24/h6-13,17,22,26H,4-5,14-16,18H2,1-3H3,(H,27,29).
What are the key properties of 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 407.56 g/mol, XLogP of 4.55, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43061749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).