2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide

C12H26N2O2 — CID 62118570

IUPAC2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCCC(CC)NCC(=O)NC(C)COC
InChIInChI=1S/C12H26N2O2/c1-5-7-11(6-2)13-8-12(15)14-10(3)9-16-4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyFSEMAJPNCSGFRB-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.31
Rot. Bonds9

About 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide

2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 62118570) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID62118570
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCCC(CC)NCC(=O)NC(C)COC
InChIInChI=1S/C12H26N2O2/c1-5-7-11(6-2)13-8-12(15)14-10(3)9-16-4/h10-11,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyFSEMAJPNCSGFRB-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 60672224
2-(4-hydroxybutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 83177784
2-(3,3-dimethylbutan-2-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115627480
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 54956919
2-(1-cyclopropylethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60696176
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106285636
2-[[(1S)-1-cyclopentylethyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 81394863
2-(octan-4-ylamino)-N-propan-2-ylacetamide
CID 103776277
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596
N-(1-methoxypropan-2-yl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723999
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide (CID 62118570) is 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide is CCCC(CC)NCC(=O)NC(C)COC.
What is the InChIKey of 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is FSEMAJPNCSGFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-7-11(6-2)13-8-12(15)14-10(3)9-16-4/h10-11,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide?
2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylamino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 62118570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).