ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide

C16H36N3O6P — CID 156747557

IUPACethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide
SMILESCC.CNC(C)=O.COP(O)OCCCCCCNC(=O)CCNC=O
InChIInChI=1S/C11H23N2O5P.C3H7NO.C2H6/c1-17-19(16)18-9-5-3-2-4-7-13-11(15)6-8-12-10-14;1-3(5)4-2;1-2/h10,16H,2-9H2,1H3,(H,12,14)(H,13,15);1-2H3,(H,4,5);1-2H3
InChIKeyZRLGPTVQSPUUSY-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.46
Rot. Bonds13

About ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide

ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide (PubChem CID 156747557) has the molecular formula C16H36N3O6P and a molecular weight of 397.45 g/mol. Its IUPAC name is ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide.

Molecular Properties

Compound Nameethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide
PubChem CID156747557
Molecular FormulaC16H36N3O6P
Molecular Weight397.45 g/mol
Exact Mass397.23
IUPAC Nameethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide
SMILESCC.CNC(C)=O.COP(O)OCCCCCCNC(=O)CCNC=O
InChIInChI=1S/C11H23N2O5P.C3H7NO.C2H6/c1-17-19(16)18-9-5-3-2-4-7-13-11(15)6-8-12-10-14;1-3(5)4-2;1-2/h10,16H,2-9H2,1H3,(H,12,14)(H,13,15);1-2H3,(H,4,5);1-2H3
InChIKeyZRLGPTVQSPUUSY-UHFFFAOYSA-N
XLogP1.46
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-[6-(6-acetamidohexanoylamino)hexanoylamino]-2-(hydroxymethyl)hexyl] methyl hydrogen phosphite
CID 156747644
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
2-methoxyethyl 2-(3-formamidopropanoylamino)acetate
CID 57278213
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
ethane;[4-[[1-[[1-[hydroxy(methoxy)phosphanyl]oxy-3-methoxypropan-2-yl]amino]-1-oxo-6-[4-(trimethylazaniumyl)butanoylamino]hexan-2-yl]amino]-4-oxobutyl]-trimethylazanium
CID 177234373
16-[[4-(methylamino)-4-oxobutyl]amino]-16-oxohexadecane-1-sulfonic acid
CID 138712454
6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 134550363
[4-(hexadecylamino)-4-oxobutyl] 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl hydrogen phosphite
CID 67934868
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
CID 156865396
ethane;4-(methylamino)-N-(6-oxoheptyl)butanamide
CID 177339122
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359

Frequently Asked Questions

What is the IUPAC name of ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide?
The IUPAC name of ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide (CID 156747557) is ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide.
What is the SMILES notation for ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide?
The canonical SMILES for ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide is CC.CNC(C)=O.COP(O)OCCCCCCNC(=O)CCNC=O.
What is the InChIKey of ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide?
The InChIKey is ZRLGPTVQSPUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O5P.C3H7NO.C2H6/c1-17-19(16)18-9-5-3-2-4-7-13-11(15)6-8-12-10-14;1-3(5)4-2;1-2/h10,16H,2-9H2,1H3,(H,12,14)(H,13,15);1-2H3,(H,4,5);1-2H3.
What are the key properties of ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide?
ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide has a molecular weight of 397.45 g/mol, XLogP of 1.46, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(3-formamidopropanoylamino)hexyl methyl hydrogen phosphite;N-methylacetamide is sourced from PubChem (CID 156747557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).