3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide

C18H30N2O2 — CID 119821276

IUPAC3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide
SMILESCc1cccc(C)c1OCC(NC(=O)CC(C)N)C(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-12-8-7-9-13(2)17(12)22-11-15(18(4,5)6)20-16(21)10-14(3)19/h7-9,14-15H,10-11,19H2,1-6H3,(H,20,21)
InChIKeyJKMNSFOOFHNWRZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.95
Rot. Bonds6

About 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide

3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide (PubChem CID 119821276) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide
PubChem CID119821276
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide
SMILESCc1cccc(C)c1OCC(NC(=O)CC(C)N)C(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-12-8-7-9-13(2)17(12)22-11-15(18(4,5)6)20-16(21)10-14(3)19/h7-9,14-15H,10-11,19H2,1-6H3,(H,20,21)
InChIKeyJKMNSFOOFHNWRZ-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide
CID 120992421
2-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 71854748
3-amino-N-(2,2-dimethyl-1-phenylpropyl)butanamide
CID 60836669
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777
methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 40938621
2-(diaminomethylideneamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 57406196
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
3-amino-N-(2-methyl-2-phenylpentan-3-yl)butanamide;hydrochloride
CID 119801288
3-[bis(2-hydroxyethyl)amino]-N-[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]propanamide
CID 102200968

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide?
The IUPAC name of 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide (CID 119821276) is 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide is Cc1cccc(C)c1OCC(NC(=O)CC(C)N)C(C)(C)C.
What is the InChIKey of 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide?
The InChIKey is JKMNSFOOFHNWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-12-8-7-9-13(2)17(12)22-11-15(18(4,5)6)20-16(21)10-14(3)19/h7-9,14-15H,10-11,19H2,1-6H3,(H,20,21).
What are the key properties of 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide?
3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide has a molecular weight of 306.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide is sourced from PubChem (CID 119821276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).