3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

C12H25N3O3 — CID 106277417

IUPAC3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)NC(C)COC
InChIInChI=1S/C12H25N3O3/c1-9(7-18-5)15-10(16)6-14-8-12(2,3)11(17)13-4/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyJQKLRIZRMZLJQR-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.50
Rot. Bonds8

About 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106277417) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106277417
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)NC(C)COC
InChIInChI=1S/C12H25N3O3/c1-9(7-18-5)15-10(16)6-14-8-12(2,3)11(17)13-4/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyJQKLRIZRMZLJQR-UHFFFAOYSA-N
XLogP-0.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791
N-(1-methoxypropan-2-yl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723999
2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide
CID 115748000
3-(2-methoxypropylamino)-N,2,2-trimethylpropanamide
CID 106276968
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]butanoic acid
CID 43473540
(3R)-N-[(2S)-1-methoxypropan-2-yl]-3,4,4-trimethylpentanamide
CID 97019330
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]acetate
CID 103096935
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106285636
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045
3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106276999
2-(4-hydroxybutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 83177784

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (CID 106277417) is 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(=O)NC(C)COC.
What is the InChIKey of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is JQKLRIZRMZLJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-9(7-18-5)15-10(16)6-14-8-12(2,3)11(17)13-4/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 259.35 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).