ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

C28H37N3O6 — CID 142606583

IUPACethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
SMILESC/C=C\C(=C/C)C(c1ccccc1)N(C)OC(=O)C(C)NC(=O)c1nccc(OC)c1OC(C)=O.CC
InChIInChI=1S/C26H31N3O6.C2H6/c1-7-12-19(8-2)23(20-13-10-9-11-14-20)29(5)35-26(32)17(3)28-25(31)22-24(34-18(4)30)21(33-6)15-16-27-22;1-2/h7-17,23H,1-6H3,(H,28,31);1-2H3/b12-7-,19-8+;
InChIKeyLTMPAMLOBXJYNQ-ZJSUVLDVSA-N
MW511.62 g/mol
LogP4.81
Rot. Bonds10

About ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate (PubChem CID 142606583) has the molecular formula C28H37N3O6 and a molecular weight of 511.62 g/mol. Its IUPAC name is ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
PubChem CID142606583
Molecular FormulaC28H37N3O6
Molecular Weight511.62 g/mol
Exact Mass511.27
IUPAC Nameethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
SMILESC/C=C\C(=C/C)C(c1ccccc1)N(C)OC(=O)C(C)NC(=O)c1nccc(OC)c1OC(C)=O.CC
InChIInChI=1S/C26H31N3O6.C2H6/c1-7-12-19(8-2)23(20-13-10-9-11-14-20)29(5)35-26(32)17(3)28-25(31)22-24(34-18(4)30)21(33-6)15-16-27-22;1-2/h7-17,23H,1-6H3,(H,28,31);1-2H3/b12-7-,19-8+;
InChIKeyLTMPAMLOBXJYNQ-ZJSUVLDVSA-N
XLogP4.81
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-1-(2-methylpropoxy)-1-phenylpropan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462257
[(2S,3R)-3-phenoxyhex-5-en-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466157
[(2S,3R)-4-ethyl-3-phenoxyhexan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466627
[(2S,3S,4S)-4-methoxy-3-phenoxyhexan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121465979
[(3R,4S)-2-methyl-4-phenoxypentan-3-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462451
[(1S,2S)-1-phenoxy-1-pyridin-3-ylpropan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462193
[2-[[(2S)-1-[(2S)-1,1-diphenylpropan-2-yl]oxy-1-oxopropan-2-yl]carbamoyl]-4-methoxy-3-pyridinyl] 2-methylpropanoate
CID 121463652
[(2S,3R)-4-ethyl-3-(4-phenylphenoxy)hexan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121465986
[(2S)-1-phenoxy-1-(1,3-thiazol-2-yl)propan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462061
[(2S,3R)-3-(cyclopropylmethoxy)-5-methylhexan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466745
[2-[[(1S)-1-(5-benzhydryl-2-methyl-1,2,4-triazol-3-yl)ethyl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 162759304
[2-[[(1S)-1-(5-benzhydryl-1-methyl-1,2,4-triazol-3-yl)ethyl]carbamoyl]-4-methoxy-3-pyridinyl] acetate
CID 162759236

Frequently Asked Questions

What is the IUPAC name of ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The IUPAC name of ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate (CID 142606583) is ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate is C/C=C\C(=C/C)C(c1ccccc1)N(C)OC(=O)C(C)NC(=O)c1nccc(OC)c1OC(C)=O.CC.
What is the InChIKey of ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
The InChIKey is LTMPAMLOBXJYNQ-ZJSUVLDVSA-N. The full InChI is InChI=1S/C26H31N3O6.C2H6/c1-7-12-19(8-2)23(20-13-10-9-11-14-20)29(5)35-26(32)17(3)28-25(31)22-24(34-18(4)30)21(33-6)15-16-27-22;1-2/h7-17,23H,1-6H3,(H,28,31);1-2H3/b12-7-,19-8+;.
What are the key properties of ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate?
ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate has a molecular weight of 511.62 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[[(Z,2E)-2-ethylidene-1-phenylpent-3-enyl]-methylamino] 2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 142606583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).