N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C28H38N4O3 — CID 170262879

IUPACN-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC(CCC2CC2)C(=O)Nc2ccc(CN(C)C)cc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C28H38N4O3/c1-17-24-22(14-28(2,3)15-23(24)33)30-25(17)27(35)31-21(13-10-18-6-7-18)26(34)29-20-11-8-19(9-12-20)16-32(4)5/h8-9,11-12,18,21,30H,6-7,10,13-16H2,1-5H3,(H,29,34)(H,31,35)
InChIKeyVXLACLFVDVSCIJ-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.47
Rot. Bonds9

About N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 170262879) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID170262879
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC NameN-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NC(CCC2CC2)C(=O)Nc2ccc(CN(C)C)cc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C28H38N4O3/c1-17-24-22(14-28(2,3)15-23(24)33)30-25(17)27(35)31-21(13-10-18-6-7-18)26(34)29-20-11-8-19(9-12-20)16-32(4)5/h8-9,11-12,18,21,30H,6-7,10,13-16H2,1-5H3,(H,29,34)(H,31,35)
InChIKeyVXLACLFVDVSCIJ-UHFFFAOYSA-N
XLogP4.47
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 170262879) is N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)NC(CCC2CC2)C(=O)Nc2ccc(CN(C)C)cc2)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is VXLACLFVDVSCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-17-24-22(14-28(2,3)15-23(24)33)30-25(17)27(35)31-21(13-10-18-6-7-18)26(34)29-20-11-8-19(9-12-20)16-32(4)5/h8-9,11-12,18,21,30H,6-7,10,13-16H2,1-5H3,(H,29,34)(H,31,35).
What are the key properties of N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 4.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-1-[4-[(dimethylamino)methyl]anilino]-1-oxobutan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 170262879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).