2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

C25H31N3O2 — CID 42772039

IUPAC2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)CC(C)C
InChIInChI=1S/C25H31N3O2/c1-19(2)16-28(20(3)29)18-25(30)27(17-21-9-5-4-6-10-21)14-13-22-15-26-24-12-8-7-11-23(22)24/h4-12,15,19,26H,13-14,16-18H2,1-3H3
InChIKeyKAZSPTIJHFNZLE-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.24
Rot. Bonds9

About 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 42772039) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID42772039
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)CC(C)C
InChIInChI=1S/C25H31N3O2/c1-19(2)16-28(20(3)29)18-25(30)27(17-21-9-5-4-6-10-21)14-13-22-15-26-24-12-8-7-11-23(22)24/h4-12,15,19,26H,13-14,16-18H2,1-3H3
InChIKeyKAZSPTIJHFNZLE-UHFFFAOYSA-N
XLogP4.24
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 42772049
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 3487340
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-chloro-N-(2-methylpropyl)benzamide
CID 4187388
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-bromo-N-(2-methylpropyl)benzamide
CID 42772050
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5068445
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3546826
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-3-nitrobenzamide
CID 4136693
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42770579
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 42770529

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 42772039) is 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)CC(C)C.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is KAZSPTIJHFNZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19(2)16-28(20(3)29)18-25(30)27(17-21-9-5-4-6-10-21)14-13-22-15-26-24-12-8-7-11-23(22)24/h4-12,15,19,26H,13-14,16-18H2,1-3H3.
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 42772039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).