azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid

C27H58Cl2N4O5Pt — CID 164784563

IUPACazanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid
SMILESCCCCCCCCCCCCCCCCNC(=O)O.CCCCCCNC(=O)CCC(=O)O.Cl[Pt+2]Cl.[NH2-].[NH2-]
InChIInChI=1S/C17H35NO2.C10H19NO3.2ClH.2H2N.Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)20;1-2-3-4-5-8-11-9(12)6-7-10(13)14;;;;;/h18H,2-16H2,1H3,(H,19,20);2-8H2,1H3,(H,11,12)(H,13,14);2*1H;2*1H2;/q;;;;2*-1;+4/p-2
InChIKeyBDDNYTMKRIRXTI-UHFFFAOYSA-L
MW784.77 g/mol
LogP10.09
Rot. Bonds23

About azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid

azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid (PubChem CID 164784563) has the molecular formula C27H58Cl2N4O5Pt and a molecular weight of 784.77 g/mol. Its IUPAC name is azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Nameazanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid
PubChem CID164784563
Molecular FormulaC27H58Cl2N4O5Pt
Molecular Weight784.77 g/mol
Exact Mass783.34
IUPAC Nameazanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid
SMILESCCCCCCCCCCCCCCCCNC(=O)O.CCCCCCNC(=O)CCC(=O)O.Cl[Pt+2]Cl.[NH2-].[NH2-]
InChIInChI=1S/C17H35NO2.C10H19NO3.2ClH.2H2N.Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)20;1-2-3-4-5-8-11-9(12)6-7-10(13)14;;;;;/h18H,2-16H2,1H3,(H,19,20);2-8H2,1H3,(H,11,12)(H,13,14);2*1H;2*1H2;/q;;;;2*-1;+4/p-2
InChIKeyBDDNYTMKRIRXTI-UHFFFAOYSA-L
XLogP10.09
TPSA182.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.77
LogP ≤ 510.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
4-(tridecanoylamino)butanoic acid
CID 164851630
2-chloro-N-dotriacontylacetamide
CID 163206961
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-tetradecylpentanamide
CID 87172595

Frequently Asked Questions

What is the IUPAC name of azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid?
The IUPAC name of azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid (CID 164784563) is azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid.
What is the SMILES notation for azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid?
The canonical SMILES for azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid is CCCCCCCCCCCCCCCCNC(=O)O.CCCCCCNC(=O)CCC(=O)O.Cl[Pt+2]Cl.[NH2-].[NH2-].
What is the InChIKey of azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid?
The InChIKey is BDDNYTMKRIRXTI-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H35NO2.C10H19NO3.2ClH.2H2N.Pt/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)20;1-2-3-4-5-8-11-9(12)6-7-10(13)14;;;;;/h18H,2-16H2,1H3,(H,19,20);2-8H2,1H3,(H,11,12)(H,13,14);2*1H;2*1H2;/q;;;;2*-1;+4/p-2.
What are the key properties of azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid?
azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid has a molecular weight of 784.77 g/mol, XLogP of 10.09, 23 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;dichloroplatinum(2+);hexadecylcarbamic acid;4-(hexylamino)-4-oxobutanoic acid is sourced from PubChem (CID 164784563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).