N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol

C39H64N6O6 — CID 143157208

IUPACN-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol
SMILESCC.CC.CC(=O)NC(C=O)CCC=O.CN.CNc1c(-c2ccccc2)c(-c2ccccc2)n(C(C)C)c1C(=O)NC(C=O)CCCN.CO
InChIInChI=1S/C26H32N4O2.C7H11NO3.2C2H6.CH5N.CH4O/c1-18(2)30-24(20-13-8-5-9-14-20)22(19-11-6-4-7-12-19)23(28-3)25(30)26(32)29-21(17-31)15-10-16-27;1-6(11)8-7(5-10)3-2-4-9;4*1-2/h4-9,11-14,17-18,21,28H,10,15-16,27H2,1-3H3,(H,29,32);4-5,7H,2-3H2,1H3,(H,8,11);2*1-2H3;2H2,1H3;2H,1H3
InChIKeyHXZOZAJGIQSKHD-UHFFFAOYSA-N
MW712.98 g/mol
LogP5.39
Rot. Bonds15

About N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol

N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol (PubChem CID 143157208) has the molecular formula C39H64N6O6 and a molecular weight of 712.98 g/mol. Its IUPAC name is N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol.

Molecular Properties

Compound NameN-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol
PubChem CID143157208
Molecular FormulaC39H64N6O6
Molecular Weight712.98 g/mol
Exact Mass712.49
IUPAC NameN-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol
SMILESCC.CC.CC(=O)NC(C=O)CCC=O.CN.CNc1c(-c2ccccc2)c(-c2ccccc2)n(C(C)C)c1C(=O)NC(C=O)CCCN.CO
InChIInChI=1S/C26H32N4O2.C7H11NO3.2C2H6.CH5N.CH4O/c1-18(2)30-24(20-13-8-5-9-14-20)22(19-11-6-4-7-12-19)23(28-3)25(30)26(32)29-21(17-31)15-10-16-27;1-6(11)8-7(5-10)3-2-4-9;4*1-2/h4-9,11-14,17-18,21,28H,10,15-16,27H2,1-3H3,(H,29,32);4-5,7H,2-3H2,1H3,(H,8,11);2*1-2H3;2H2,1H3;2H,1H3
InChIKeyHXZOZAJGIQSKHD-UHFFFAOYSA-N
XLogP5.39
TPSA198.64 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500712.98
LogP ≤ 55.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol?
The IUPAC name of N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol (CID 143157208) is N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol.
What is the SMILES notation for N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol?
The canonical SMILES for N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol is CC.CC.CC(=O)NC(C=O)CCC=O.CN.CNc1c(-c2ccccc2)c(-c2ccccc2)n(C(C)C)c1C(=O)NC(C=O)CCCN.CO.
What is the InChIKey of N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol?
The InChIKey is HXZOZAJGIQSKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.C7H11NO3.2C2H6.CH5N.CH4O/c1-18(2)30-24(20-13-8-5-9-14-20)22(19-11-6-4-7-12-19)23(28-3)25(30)26(32)29-21(17-31)15-10-16-27;1-6(11)8-7(5-10)3-2-4-9;4*1-2/h4-9,11-14,17-18,21,28H,10,15-16,27H2,1-3H3,(H,29,32);4-5,7H,2-3H2,1H3,(H,8,11);2*1-2H3;2H2,1H3;2H,1H3.
What are the key properties of N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol?
N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol has a molecular weight of 712.98 g/mol, XLogP of 5.39, 15 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-oxopentan-2-yl)-3-(methylamino)-4,5-diphenyl-1-propan-2-ylpyrrole-2-carboxamide;N-(1,5-dioxopentan-2-yl)acetamide;ethane;methanamine;methanol is sourced from PubChem (CID 143157208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).