N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide

C13H26N2O4 — CID 151236893

IUPACN',N'-diethoxy-2,2-di(propan-2-yl)propanediamide
SMILESCCON(OCC)C(=O)C(C(N)=O)(C(C)C)C(C)C
InChIInChI=1S/C13H26N2O4/c1-7-18-15(19-8-2)12(17)13(9(3)4,10(5)6)11(14)16/h9-10H,7-8H2,1-6H3,(H2,14,16)
InChIKeyNPLSMWCBIXXYJD-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.50
Rot. Bonds8

About N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide

N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide (PubChem CID 151236893) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide.

Molecular Properties

Compound NameN',N'-diethoxy-2,2-di(propan-2-yl)propanediamide
PubChem CID151236893
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN',N'-diethoxy-2,2-di(propan-2-yl)propanediamide
SMILESCCON(OCC)C(=O)C(C(N)=O)(C(C)C)C(C)C
InChIInChI=1S/C13H26N2O4/c1-7-18-15(19-8-2)12(17)13(9(3)4,10(5)6)11(14)16/h9-10H,7-8H2,1-6H3,(H2,14,16)
InChIKeyNPLSMWCBIXXYJD-UHFFFAOYSA-N
XLogP1.50
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate
CID 3507009
2-iodopropyl carbamate
CID 87289235
2-ethoxy-2-hydroxypropanediamide
CID 45122517
diethyl 2-(dicyanomethyl)-2-propan-2-ylpropanedioate
CID 118142505
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
CID 139989397
ethyl 2-methyl-5-oxopentanoate
CID 57121376
2-methylpropyl 2,2-diethylbutanoate
CID 139972882
CID 136863386
CID 136863386
acetamide;diethyl 2-(2,3-dimethylbutan-2-yl)propanedioate
CID 129050698
2-methylpropyl 3-methylpent-2-enoate
CID 72951804
2-[ethoxycarbonyl(propan-2-yl)amino]-2-ethyl-3-methylbutanoic acid
CID 175198157
diethyl 2,3-bis(2-methylpropoxy)butanedioate
CID 139989441

Frequently Asked Questions

What is the IUPAC name of N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide?
The IUPAC name of N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide (CID 151236893) is N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide.
What is the SMILES notation for N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide?
The canonical SMILES for N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide is CCON(OCC)C(=O)C(C(N)=O)(C(C)C)C(C)C.
What is the InChIKey of N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide?
The InChIKey is NPLSMWCBIXXYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-7-18-15(19-8-2)12(17)13(9(3)4,10(5)6)11(14)16/h9-10H,7-8H2,1-6H3,(H2,14,16).
What are the key properties of N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide?
N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide has a molecular weight of 274.36 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethoxy-2,2-di(propan-2-yl)propanediamide is sourced from PubChem (CID 151236893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).