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

C18H30N2O3 — CID 120992421

IUPAC2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(COc1c(C)cccc1C)C(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-12-8-7-9-13(2)16(12)23-11-15(18(3,4)5)20-17(21)14(19)10-22-6/h7-9,14-15H,10-11,19H2,1-6H3,(H,20,21)
InChIKeyONHLEPJENYKWJB-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.19
Rot. Bonds7

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

2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide (PubChem CID 120992421) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide
PubChem CID120992421
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(COc1c(C)cccc1C)C(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-12-8-7-9-13(2)16(12)23-11-15(18(3,4)5)20-17(21)14(19)10-22-6/h7-9,14-15H,10-11,19H2,1-6H3,(H,20,21)
InChIKeyONHLEPJENYKWJB-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]butanamide
CID 119821276
2-amino-N-[2,2-dimethyl-1-(2-methylphenyl)propyl]-3-methoxypropanamide
CID 120992155
methyl 2-acetamido-3-(2,6-dimethylphenoxy)propanoate
CID 65441985
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 71854748
[5-amino-6-[1-(2,6-dimethylphenoxy)propan-2-ylamino]-6-oxohexyl]-trimethylazanium;sulfane;chloride;hydrochloride
CID 159039880
acetic acid;(2S)-2-amino-3-(carbamoylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]propanamide;sulfane
CID 158254167
2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methoxypropanoic acid
CID 81084522
2-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
2-acetamido-5-aminopentanoic acid;1-(2,6-dimethylphenoxy)propan-2-amine
CID 67982229
[2-[(2R)-2-aminopropoxy]-3-methylphenyl]methanol;oxalic acid
CID 171380777
2-amino-3-methoxy-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 81088183

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide (CID 120992421) is 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide is COCC(N)C(=O)NC(COc1c(C)cccc1C)C(C)(C)C.
What is the InChIKey of 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide?
The InChIKey is ONHLEPJENYKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-12-8-7-9-13(2)16(12)23-11-15(18(3,4)5)20-17(21)14(19)10-22-6/h7-9,14-15H,10-11,19H2,1-6H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide?
2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide has a molecular weight of 322.45 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-dimethylphenoxy)-3,3-dimethylbutan-2-yl]-3-methoxypropanamide is sourced from PubChem (CID 120992421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).