1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane

C34H64N6O6 — CID 143354817

About 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane

1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane (PubChem CID 143354817) has the molecular formula C34H64N6O6 and a molecular weight of 652.92 g/mol. Its IUPAC name is 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane.

Molecular Properties

• Compound Name: 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane
• PubChem CID: 143354817
• Molecular Formula: C34H64N6O6
• Molecular Weight: 652.92 g/mol
• Exact Mass: 652.49
• IUPAC Name: 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane
• SMILES: C=CCNC(=O)C(=O)C(CCC)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)NCC(=O)N(CC)CC)C(C)(C)C.CC(C)C.CCC
• InChI: InChI=1S/C27H46N6O6.C4H10.C3H8/c1-8-13-18(21(35)24(37)28-15-9-2)30-23(36)19-14-12-16-33(19)25(38)22(27(5,6)7)31-26(39)29-17-20(34)32(10-3)11-4;1-4(2)3;1-3-2/h9,18-19,22H,2,8,10-17H2,1,3-7H3,(H,28,37)(H,30,36)(H2,29,31,39);4H,1-3H3;3H2,1-2H3/t18?,19?,22-;;/m1../s1
• InChIKey: YSZXRZCHCMLKJN-WMLKFLLTSA-N
• XLogP: 3.79
• TPSA: 157.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	652.92
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

The IUPAC name of 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane (CID 143354817) is 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane.

What is the SMILES notation for 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

The canonical SMILES for 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane is C=CCNC(=O)C(=O)C(CCC)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)NCC(=O)N(CC)CC)C(C)(C)C.CC(C)C.CCC.

What is the InChIKey of 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

The InChIKey is YSZXRZCHCMLKJN-WMLKFLLTSA-N. The full InChI is InChI=1S/C27H46N6O6.C4H10.C3H8/c1-8-13-18(21(35)24(37)28-15-9-2)30-23(36)19-14-12-16-33(19)25(38)22(27(5,6)7)31-26(39)29-17-20(34)32(10-3)11-4;1-4(2)3;1-3-2/h9,18-19,22H,2,8,10-17H2,1,3-7H3,(H,28,37)(H,30,36)(H2,29,31,39);4H,1-3H3;3H2,1-2H3/t18?,19?,22-;;/m1../s1.

What are the key properties of 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane?

1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane has a molecular weight of 652.92 g/mol, XLogP of 3.79, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]pyrrolidine-2-carboxamide;2-methylpropane;propane is sourced from PubChem (CID 143354817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).