N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane

C41H73N5O8 — CID 144969699

About N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane

N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane (PubChem CID 144969699) has the molecular formula C41H73N5O8 and a molecular weight of 764.06 g/mol. Its IUPAC name is N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane.

Molecular Properties

• Compound Name: N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane
• PubChem CID: 144969699
• Molecular Formula: C41H73N5O8
• Molecular Weight: 764.06 g/mol
• Exact Mass: 763.55
• IUPAC Name: N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane
• SMILES: CCC.CCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)C(NC)C(C)C.COC(=O)C(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C=O
• InChI: InChI=1S/C20H28N2O5.C18H37N3O3.C3H8/c1-14(18(26-2)17-10-7-11-22(17)13-23)19(24)21-16(20(25)27-3)12-15-8-5-4-6-9-15;1-9-13(5)17(14(10-2)24-8)21(7)15(22)11-20-18(23)16(19-6)12(3)4;1-3-2/h4-6,8-9,13-14,16-18H,7,10-12H2,1-3H3,(H,21,24);12-14,16-17,19H,9-11H2,1-8H3,(H,20,23);3H2,1-2H3
• InChIKey: ZNBUWQXPOMQTNS-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 155.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	764.06
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane?

The IUPAC name of N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane (CID 144969699) is N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane.

What is the SMILES notation for N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane?

The canonical SMILES for N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane is CCC.CCC(C)C(C(CC)OC)N(C)C(=O)CNC(=O)C(NC)C(C)C.COC(=O)C(Cc1ccccc1)NC(=O)C(C)C(OC)C1CCCN1C=O.

What is the InChIKey of N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane?

The InChIKey is ZNBUWQXPOMQTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5.C18H37N3O3.C3H8/c1-14(18(26-2)17-10-7-11-22(17)13-23)19(24)21-16(20(25)27-3)12-15-8-5-4-6-9-15;1-9-13(5)17(14(10-2)24-8)21(7)15(22)11-20-18(23)16(19-6)12(3)4;1-3-2/h4-6,8-9,13-14,16-18H,7,10-12H2,1-3H3,(H,21,24);12-14,16-17,19H,9-11H2,1-8H3,(H,20,23);3H2,1-2H3.

What are the key properties of N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane?

N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane has a molecular weight of 764.06 g/mol, XLogP of 4.22, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;methyl 2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate;propane is sourced from PubChem (CID 144969699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).