N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide

C27H35N3O3 — CID 3703241

IUPACN-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C27H35N3O3/c1-19(2)27(32)30(20(3)4)18-26(31)29(17-22-10-6-9-13-25(22)33-5)15-14-21-16-28-24-12-8-7-11-23(21)24/h6-13,16,19-20,28H,14-15,17-18H2,1-5H3
InChIKeyDBUJQIURUJXOMH-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.64
Rot. Bonds10

About N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide

N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide (PubChem CID 3703241) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
PubChem CID3703241
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC NameN-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
SMILESCOc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)CN(C(=O)C(C)C)C(C)C
InChIInChI=1S/C27H35N3O3/c1-19(2)27(32)30(20(3)4)18-26(31)29(17-22-10-6-9-13-25(22)33-5)15-14-21-16-28-24-12-8-7-11-23(21)24/h6-13,16,19-20,28H,14-15,17-18H2,1-5H3
InChIKeyDBUJQIURUJXOMH-UHFFFAOYSA-N
XLogP4.64
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[(2-phenylmethoxyacetyl)-propan-2-ylamino]acetamide
CID 5140398
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 4516575
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 4069034
N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]-2-[propan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 3437860
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 5196720
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 5055164
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 24717900
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 42771056
2-[ethylcarbamoyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3513034
N-[2-(1H-indol-3-yl)ethyl]-2-[(2-methoxyacetyl)-propan-2-ylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 42770548
2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42770579
N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide
CID 4620267

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide (CID 3703241) is N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide is COc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)CN(C(=O)C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is DBUJQIURUJXOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-19(2)27(32)30(20(3)4)18-26(31)29(17-22-10-6-9-13-25(22)33-5)15-14-21-16-28-24-12-8-7-11-23(21)24/h6-13,16,19-20,28H,14-15,17-18H2,1-5H3.
What are the key properties of N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide?
N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 449.60 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 3703241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).