2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide

C12H23NO2 — CID 103742498

IUPAC2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)C)CCOCC1
InChIInChI=1S/C12H23NO2/c1-11(2,3)10(14)13-9-12(4)5-7-15-8-6-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyDHEWGDHNGVLBFI-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.97
Rot. Bonds2

About 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide

2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide (PubChem CID 103742498) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
PubChem CID103742498
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)C)CCOCC1
InChIInChI=1S/C12H23NO2/c1-11(2,3)10(14)13-9-12(4)5-7-15-8-6-12/h5-9H2,1-4H3,(H,13,14)
InChIKeyDHEWGDHNGVLBFI-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-2-methyl-N-[(3-methyloxolan-3-yl)methyl]propanamide
CID 130915014
3-amino-4,4-dimethyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 114125228
(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
CID 103742481
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
tert-butyl 4-[(4-methyloxan-4-yl)methylamino]-4-oxobutanoate
CID 106812233
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide
CID 131065134
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
2-hydroxy-2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 106509809
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
CID 106300401
2,2-dimethyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]propanamide
CID 90604589

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide (CID 103742498) is 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide is CC1(CNC(=O)C(C)(C)C)CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
The InChIKey is DHEWGDHNGVLBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)10(14)13-9-12(4)5-7-15-8-6-12/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide?
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide has a molecular weight of 213.32 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 103742498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).