(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide

C38H61N5O4 — CID 11852925

IUPAC(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide
SMILESCCNC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCc2ccccc21)N(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H61N5O4/c1-7-39-35(44)31(24-25(2)3)43(6)38(47)33(28-19-12-9-13-20-28)41-36(45)32(27-17-10-8-11-18-27)40-37(46)34(42(4)5)30-23-22-26-16-14-15-21-29(26)30/h14-16,21,25,27-28,30-34H,7-13,17-20,22-24H2,1-6H3,(H,39,44)(H,40,46)(H,41,45)/t30?,31-,32-,33-,34-/m1/s1
InChIKeyHSQIFYYWIATQGW-PPIINUMBSA-N
MW651.94 g/mol
LogP4.79
Rot. Bonds14

About (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide

(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide (PubChem CID 11852925) has the molecular formula C38H61N5O4 and a molecular weight of 651.94 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide
PubChem CID11852925
Molecular FormulaC38H61N5O4
Molecular Weight651.94 g/mol
Exact Mass651.47
IUPAC Name(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide
SMILESCCNC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCc2ccccc21)N(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C38H61N5O4/c1-7-39-35(44)31(24-25(2)3)43(6)38(47)33(28-19-12-9-13-20-28)41-36(45)32(27-17-10-8-11-18-27)40-37(46)34(42(4)5)30-23-22-26-16-14-15-21-29(26)30/h14-16,21,25,27-28,30-34H,7-13,17-20,22-24H2,1-6H3,(H,39,44)(H,40,46)(H,41,45)/t30?,31-,32-,33-,34-/m1/s1
InChIKeyHSQIFYYWIATQGW-PPIINUMBSA-N
XLogP4.79
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.94
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide?
The IUPAC name of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide (CID 11852925) is (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide is CCNC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](C1CCc2ccccc21)N(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide?
The InChIKey is HSQIFYYWIATQGW-PPIINUMBSA-N. The full InChI is InChI=1S/C38H61N5O4/c1-7-39-35(44)31(24-25(2)3)43(6)38(47)33(28-19-12-9-13-20-28)41-36(45)32(27-17-10-8-11-18-27)40-37(46)34(42(4)5)30-23-22-26-16-14-15-21-29(26)30/h14-16,21,25,27-28,30-34H,7-13,17-20,22-24H2,1-6H3,(H,39,44)(H,40,46)(H,41,45)/t30?,31-,32-,33-,34-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide?
(2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide has a molecular weight of 651.94 g/mol, XLogP of 4.79, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-2-[[(2R)-2-(2,3-dihydro-1H-inden-1-yl)-2-(dimethylamino)acetyl]amino]acetyl]amino]acetyl]-methylamino]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 11852925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).