2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide

C17H35N3O3 — CID 167045313

IUPAC2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide
SMILESCC(NC(=O)CNC(=O)C(C)(C)OCCC(C)(C)N)C(C)(C)C
InChIInChI=1S/C17H35N3O3/c1-12(15(2,3)4)20-13(21)11-19-14(22)17(7,8)23-10-9-16(5,6)18/h12H,9-11,18H2,1-8H3,(H,19,22)(H,20,21)
InChIKeyLSQYATWFBNWXRZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.58
Rot. Bonds8

About 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide

2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide (PubChem CID 167045313) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide
PubChem CID167045313
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Name2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide
SMILESCC(NC(=O)CNC(=O)C(C)(C)OCCC(C)(C)N)C(C)(C)C
InChIInChI=1S/C17H35N3O3/c1-12(15(2,3)4)20-13(21)11-19-14(22)17(7,8)23-10-9-16(5,6)18/h12H,9-11,18H2,1-8H3,(H,19,22)(H,20,21)
InChIKeyLSQYATWFBNWXRZ-UHFFFAOYSA-N
XLogP1.58
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide with MolForge

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Related Compounds

2-amino-N-(3,3-dimethylbutan-2-yl)acetamide
CID 115733734
(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
CID 142118598
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 175808420
2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide
CID 170100793
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 104828232
4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide
CID 123859244
2-[[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]carbamoyl]benzoic acid
CID 146209918
N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 79252985
[4-[[2-[[2-[[3-(3-amino-3-methylbutoxy)-3-sulfanylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl hydrogen carbonate;ethane
CID 163384664
2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene
CID 176986720

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide (CID 167045313) is 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide is CC(NC(=O)CNC(=O)C(C)(C)OCCC(C)(C)N)C(C)(C)C.
What is the InChIKey of 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is LSQYATWFBNWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-12(15(2,3)4)20-13(21)11-19-14(22)17(7,8)23-10-9-16(5,6)18/h12H,9-11,18H2,1-8H3,(H,19,22)(H,20,21).
What are the key properties of 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide?
2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 329.49 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 167045313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).