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

C18H25N3O2 — CID 113052669

IUPACN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C18H25N3O2/c1-4-13(2)21(14(3)22)10-9-19-18(23)11-15-12-20-17-8-6-5-7-16(15)17/h5-8,12-13,20H,4,9-11H2,1-3H3,(H,19,23)
InChIKeyROYDHKHTTLOAGS-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.47
Rot. Bonds7

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

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113052669) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113052669
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1c[nH]c2ccccc12)C(C)=O
InChIInChI=1S/C18H25N3O2/c1-4-13(2)21(14(3)22)10-9-19-18(23)11-15-12-20-17-8-6-5-7-16(15)17/h5-8,12-13,20H,4,9-11H2,1-3H3,(H,19,23)
InChIKeyROYDHKHTTLOAGS-UHFFFAOYSA-N
XLogP2.47
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1H-indol-3-yl)propanamide
CID 119958060
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 104920242
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
CID 23660155
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide (CID 113052669) is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide is CCC(C)N(CCNC(=O)Cc1c[nH]c2ccccc12)C(C)=O.
What is the InChIKey of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is ROYDHKHTTLOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-13(2)21(14(3)22)10-9-19-18(23)11-15-12-20-17-8-6-5-7-16(15)17/h5-8,12-13,20H,4,9-11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113052669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).