N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide

C29H38N4O2 — CID 42777887

IUPACN-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)C(C)CC
InChIInChI=1S/C29H38N4O2/c1-6-17-33(29(35)22(3)7-2)21-28(34)32(20-23-12-14-25(15-13-23)31(4)5)18-16-24-19-30-27-11-9-8-10-26(24)27/h6,8-15,19,22,30H,1,7,16-18,20-21H2,2-5H3
InChIKeyOGRUFWFAMKAXBZ-UHFFFAOYSA-N
MW474.65 g/mol
LogP4.87
Rot. Bonds12

About N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide

N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide (PubChem CID 42777887) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide
PubChem CID42777887
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)C(C)CC
InChIInChI=1S/C29H38N4O2/c1-6-17-33(29(35)22(3)7-2)21-28(34)32(20-23-12-14-25(15-13-23)31(4)5)18-16-24-19-30-27-11-9-8-10-26(24)27/h6,8-15,19,22,30H,1,7,16-18,20-21H2,2-5H3
InChIKeyOGRUFWFAMKAXBZ-UHFFFAOYSA-N
XLogP4.87
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide 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-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 5041200
N-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]butanamide
CID 42772355
2-[benzyl(dimethylcarbamoyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5038394
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 4620268
N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]pentanamide
CID 42777797
N-butan-2-yl-4-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 42777836
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,3-dimethyl-N-propan-2-ylbutanamide
CID 42772340
3-bromo-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3424112
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3546826
2-[benzyl-(2-phenoxyacetyl)amino]-N-[[4-(dimethylamino)phenyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42777123
N-butan-2-yl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 42777837
N-benzyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]cyclobutanecarboxamide
CID 42777131

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide (CID 42777887) is N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide is C=CCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)C(=O)C(C)CC.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide?
The InChIKey is OGRUFWFAMKAXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-6-17-33(29(35)22(3)7-2)21-28(34)32(20-23-12-14-25(15-13-23)31(4)5)18-16-24-19-30-27-11-9-8-10-26(24)27/h6,8-15,19,22,30H,1,7,16-18,20-21H2,2-5H3.
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide?
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide has a molecular weight of 474.65 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 42777887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).