N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

C36H64N4O11 — CID 91075223

About N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 91075223) has the molecular formula C36H64N4O11 and a molecular weight of 728.92 g/mol. Its IUPAC name is N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.

Molecular Properties

• Compound Name: N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
• PubChem CID: 91075223
• Molecular Formula: C36H64N4O11
• Molecular Weight: 728.92 g/mol
• Exact Mass: 728.46
• IUPAC Name: N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
• SMILES: C=C(C)c1cccc(C(C)(C)NC(=O)OCN(CC)C(=O)CC)c1.CCC(=O)N(CC(O)CO)CC(O)CO.CCC(=O)N(CC)CC(O)CO
• InChI: InChI=1S/C19H28N2O3.C9H19NO5.C8H17NO3/c1-7-17(22)21(8-2)13-24-18(23)20-19(5,6)16-11-9-10-15(12-16)14(3)4;1-2-9(15)10(3-7(13)5-11)4-8(14)6-12;1-3-8(12)9(4-2)5-7(11)6-10/h9-12H,3,7-8,13H2,1-2,4-6H3,(H,20,23);7-8,11-14H,2-6H2,1H3;7,10-11H,3-6H2,1-2H3
• InChIKey: JWZMCMILTOKKDG-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 220.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	728.92
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

The IUPAC name of N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (CID 91075223) is N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.

What is the SMILES notation for N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

The canonical SMILES for N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is C=C(C)c1cccc(C(C)(C)NC(=O)OCN(CC)C(=O)CC)c1.CCC(=O)N(CC(O)CO)CC(O)CO.CCC(=O)N(CC)CC(O)CO.

What is the InChIKey of N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

The InChIKey is JWZMCMILTOKKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.C9H19NO5.C8H17NO3/c1-7-17(22)21(8-2)13-24-18(23)20-19(5,6)16-11-9-10-15(12-16)14(3)4;1-2-9(15)10(3-7(13)5-11)4-8(14)6-12;1-3-8(12)9(4-2)5-7(11)6-10/h9-12H,3,7-8,13H2,1-2,4-6H3,(H,20,23);7-8,11-14H,2-6H2,1H3;7,10-11H,3-6H2,1-2H3.

What are the key properties of N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate has a molecular weight of 728.92 g/mol, XLogP of 1.43, 19 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(2,3-dihydroxypropyl)propanamide;N-(2,3-dihydroxypropyl)-N-ethylpropanamide;[ethyl(propanoyl)amino]methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 91075223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).