butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate

About butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate

butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate (PubChem CID 143351597) has the molecular formula C45H80N6O8 and a molecular weight of 833.17 g/mol. Its IUPAC name is butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate.

Molecular Properties

Compound Name	butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate
PubChem CID	143351597
Molecular Formula	C45H80N6O8
Molecular Weight	833.17 g/mol
Exact Mass	832.60
IUPAC Name	butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate
SMILES	CC.CCCC.CCCC(NC(=O)C1CCCN1C=O)C(=O)C(=O)NCC(=O)NC.CCCOC(=O)NC(C)C1CCCCCC1.CN(C)C(=O)CCc1ccccc1
InChI	InChI=1S/C15H24N4O5.C13H25NO2.C11H15NO.C4H10.C2H6/c1-3-5-10(13(22)15(24)17-8-12(21)16-2)18-14(23)11-6-4-7-19(11)9-20;1-3-10-16-13(15)14-11(2)12-8-6-4-5-7-9-12;1-12(2)11(13)9-8-10-6-4-3-5-7-10;1-3-4-2;1-2/h9-11H,3-8H2,1-2H3,(H,16,21)(H,17,24)(H,18,23);11-12H,3-10H2,1-2H3,(H,14,15);3-7H,8-9H2,1-2H3;3-4H2,1-2H3;1-2H3
InChIKey	YSQOYYVPTBFUKQ-UHFFFAOYSA-N
XLogP	6.34
TPSA	183.32 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	17
Heavy Atoms	59
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.17
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate?

The IUPAC name of butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate (CID 143351597) is butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate.

What is the SMILES notation for butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate?

The canonical SMILES for butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate is CC.CCCC.CCCC(NC(=O)C1CCCN1C=O)C(=O)C(=O)NCC(=O)NC.CCCOC(=O)NC(C)C1CCCCCC1.CN(C)C(=O)CCc1ccccc1.

What is the InChIKey of butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate?

The InChIKey is YSQOYYVPTBFUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5.C13H25NO2.C11H15NO.C4H10.C2H6/c1-3-5-10(13(22)15(24)17-8-12(21)16-2)18-14(23)11-6-4-7-19(11)9-20;1-3-10-16-13(15)14-11(2)12-8-6-4-5-7-9-12;1-12(2)11(13)9-8-10-6-4-3-5-7-10;1-3-4-2;1-2/h9-11H,3-8H2,1-2H3,(H,16,21)(H,17,24)(H,18,23);11-12H,3-10H2,1-2H3,(H,14,15);3-7H,8-9H2,1-2H3;3-4H2,1-2H3;1-2H3.

What are the key properties of butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate?

butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate has a molecular weight of 833.17 g/mol, XLogP of 6.34, 17 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for butane;N,N-dimethyl-3-phenylpropanamide;ethane;1-formyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]pyrrolidine-2-carboxamide;propyl N-(1-cycloheptylethyl)carbamate is sourced from PubChem (CID 143351597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).