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

C24H29N3O2 — CID 4245533

IUPAC2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(C)=O
InChIInChI=1S/C24H29N3O2/c1-3-14-26(19(2)28)18-24(29)27(17-20-9-5-4-6-10-20)15-13-21-16-25-23-12-8-7-11-22(21)23/h4-12,16,25H,3,13-15,17-18H2,1-2H3
InChIKeyVCMABXYMCRVOLS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.00
Rot. Bonds9

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

2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 4245533) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID4245533
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(C)=O
InChIInChI=1S/C24H29N3O2/c1-3-14-26(19(2)28)18-24(29)27(17-20-9-5-4-6-10-20)15-13-21-16-25-23-12-8-7-11-22(21)23/h4-12,16,25H,3,13-15,17-18H2,1-2H3
InChIKeyVCMABXYMCRVOLS-UHFFFAOYSA-N
XLogP4.00
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.00
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]-N-propylbenzamide
CID 4998732
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772039
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylpropanamide
CID 4114319
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
ethyl 2-[[[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-propylcarbamoyl]amino]acetate
CID 42772435
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
2-[benzenesulfonyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3278699
2-[benzyl(dimethylcarbamoyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5038394
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide
CID 3293601
N-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]butanamide
CID 42772355
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3650559

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 4245533) is 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(C)=O.
What is the InChIKey of 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is VCMABXYMCRVOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-14-26(19(2)28)18-24(29)27(17-20-9-5-4-6-10-20)15-13-21-16-25-23-12-8-7-11-22(21)23/h4-12,16,25H,3,13-15,17-18H2,1-2H3.
What are the key properties of 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).