N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide

C26H33N3O4 — CID 42770548

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C26H33N3O4/c1-19(2)29(26(31)18-32-3)17-25(30)28(16-20-9-11-22(33-4)12-10-20)14-13-21-15-27-24-8-6-5-7-23(21)24/h5-12,15,19,27H,13-14,16-18H2,1-4H3
InChIKeyXNACHFYXPJLOOB-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.63
Rot. Bonds11

About N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 42770548) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID42770548
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)C(C)C
InChIInChI=1S/C26H33N3O4/c1-19(2)29(26(31)18-32-3)17-25(30)28(16-20-9-11-22(33-4)12-10-20)14-13-21-15-27-24-8-6-5-7-23(21)24/h5-12,15,19,27H,13-14,16-18H2,1-4H3
InChIKeyXNACHFYXPJLOOB-UHFFFAOYSA-N
XLogP3.63
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4581832
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 4069034
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4149156
4-bromo-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4256797
3-bromo-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4104063
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbutanamide
CID 24717883
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42772532
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42770552
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4055356
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-ylnonanamide
CID 42772477
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 4620268

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 42770548) is N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide is COCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)C(C)C.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is XNACHFYXPJLOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-19(2)29(26(31)18-32-3)17-25(30)28(16-20-9-11-22(33-4)12-10-20)14-13-21-15-27-24-8-6-5-7-23(21)24/h5-12,15,19,27H,13-14,16-18H2,1-4H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 3.63, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 42770548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).