N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide

C15H30N2O2 — CID 3494465

IUPACN-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(C)(C)CNC(=O)CC(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)7-13(18)16-9-15(5,6)10-17-14(19)8-12(3)4/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyLSNBRAQAMOMYLP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds8

About N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide

N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide (PubChem CID 3494465) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide
PubChem CID3494465
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC NameN-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(C)(C)CNC(=O)CC(C)C
InChIInChI=1S/C15H30N2O2/c1-11(2)7-13(18)16-9-15(5,6)10-17-14(19)8-12(3)4/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19)
InChIKeyLSNBRAQAMOMYLP-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide?
The IUPAC name of N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide (CID 3494465) is N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide?
The canonical SMILES for N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide is CC(C)CC(=O)NCC(C)(C)CNC(=O)CC(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide?
The InChIKey is LSNBRAQAMOMYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)7-13(18)16-9-15(5,6)10-17-14(19)8-12(3)4/h11-12H,7-10H2,1-6H3,(H,16,18)(H,17,19).
What are the key properties of N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide?
N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide has a molecular weight of 270.42 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(3-methylbutanoylamino)propyl]-3-methylbutanamide is sourced from PubChem (CID 3494465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).