(1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate

C13H26N2O4 — CID 145127892

IUPAC(1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate
SMILESCC(C)(C)CC(=O)NCCNC(=O)OC(C)(C)CO
InChIInChI=1S/C13H26N2O4/c1-12(2,3)8-10(17)14-6-7-15-11(18)19-13(4,5)9-16/h16H,6-9H2,1-5H3,(H,14,17)(H,15,18)
InChIKeyPYWOWIVZTZBIMO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.04
Rot. Bonds6

About (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate

(1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate (PubChem CID 145127892) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate.

Molecular Properties

Compound Name(1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate
PubChem CID145127892
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name(1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate
SMILESCC(C)(C)CC(=O)NCCNC(=O)OC(C)(C)CO
InChIInChI=1S/C13H26N2O4/c1-12(2,3)8-10(17)14-6-7-15-11(18)19-13(4,5)9-16/h16H,6-9H2,1-5H3,(H,14,17)(H,15,18)
InChIKeyPYWOWIVZTZBIMO-UHFFFAOYSA-N
XLogP1.04
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
N'-tert-butyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]butanediamide
CID 134443497
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3,3-dimethylbutanamide
CID 139566565
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
3,3-dimethyl-N-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]butanamide
CID 20736984
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
N-(6-iodohexyl)-3,3-dimethylbutanamide
CID 107848022
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate?
The IUPAC name of (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate (CID 145127892) is (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate.
What is the SMILES notation for (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate?
The canonical SMILES for (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate is CC(C)(C)CC(=O)NCCNC(=O)OC(C)(C)CO.
What is the InChIKey of (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate?
The InChIKey is PYWOWIVZTZBIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-12(2,3)8-10(17)14-6-7-15-11(18)19-13(4,5)9-16/h16H,6-9H2,1-5H3,(H,14,17)(H,15,18).
What are the key properties of (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate?
(1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-methylpropan-2-yl) N-[2-(3,3-dimethylbutanoylamino)ethyl]carbamate is sourced from PubChem (CID 145127892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).