N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C29H39N3O3 — CID 170263399

IUPACN-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N[C@H](CCCC2CC2)C(=O)N(C)[C@H](C)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C29H39N3O3/c1-18-25-23(16-29(3,4)17-24(25)33)30-26(18)27(34)31-22(13-9-10-20-14-15-20)28(35)32(5)19(2)21-11-7-6-8-12-21/h6-8,11-12,19-20,22,30H,9-10,13-17H2,1-5H3,(H,31,34)/t19-,22-/m1/s1
InChIKeyKXBSGASQTVHNJS-DENIHFKCSA-N
MW477.65 g/mol
LogP5.38
Rot. Bonds9

About N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 170263399) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID170263399
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC NameN-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N[C@H](CCCC2CC2)C(=O)N(C)[C@H](C)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C29H39N3O3/c1-18-25-23(16-29(3,4)17-24(25)33)30-26(18)27(34)31-22(13-9-10-20-14-15-20)28(35)32(5)19(2)21-11-7-6-8-12-21/h6-8,11-12,19-20,22,30H,9-10,13-17H2,1-5H3,(H,31,34)/t19-,22-/m1/s1
InChIKeyKXBSGASQTVHNJS-DENIHFKCSA-N
XLogP5.38
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-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-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 170263399) is N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)N[C@H](CCCC2CC2)C(=O)N(C)[C@H](C)c2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is KXBSGASQTVHNJS-DENIHFKCSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-18-25-23(16-29(3,4)17-24(25)33)30-26(18)27(34)31-22(13-9-10-20-14-15-20)28(35)32(5)19(2)21-11-7-6-8-12-21/h6-8,11-12,19-20,22,30H,9-10,13-17H2,1-5H3,(H,31,34)/t19-,22-/m1/s1.
What are the key properties of N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 477.65 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-cyclopropyl-1-[methyl-[(1R)-1-phenylethyl]amino]-1-oxopentan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 170263399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).