N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide

C16H32N2O5 — CID 102041361

IUPACN-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
SMILESCCC(C)[C@@H](CO)NC(=O)COCC(=O)N[C@H](CO)C(C)CC
InChIInChI=1S/C16H32N2O5/c1-5-11(3)13(7-19)17-15(21)9-23-10-16(22)18-14(8-20)12(4)6-2/h11-14,19-20H,5-10H2,1-4H3,(H,17,21)(H,18,22)/t11?,12?,13-,14-/m1/s1
InChIKeyHQHAUNGEWYVAKU-NWINJMCUSA-N
MW332.44 g/mol
LogP0.05
Rot. Bonds12

About N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide

N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide (PubChem CID 102041361) has the molecular formula C16H32N2O5 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
PubChem CID102041361
Molecular FormulaC16H32N2O5
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC NameN-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide
SMILESCCC(C)[C@@H](CO)NC(=O)COCC(=O)N[C@H](CO)C(C)CC
InChIInChI=1S/C16H32N2O5/c1-5-11(3)13(7-19)17-15(21)9-23-10-16(22)18-14(8-20)12(4)6-2/h11-14,19-20H,5-10H2,1-4H3,(H,17,21)(H,18,22)/t11?,12?,13-,14-/m1/s1
InChIKeyHQHAUNGEWYVAKU-NWINJMCUSA-N
XLogP0.05
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[(2S)-1-hydroxy-3-methylpentan-2-yl]oxamide
CID 11839005
2-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 79254836
(1-hydroxy-3-methylpentan-2-yl)carbamic acid
CID 22242867
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 79255861
2-(2-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783
N-(1,3-dihydroxypropan-2-yl)-2-ethoxyacetamide
CID 65314889
2-[2-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 106348504
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methoxyethoxy)acetamide
CID 103920046
2-ethoxy-N-(4-hydroxybutan-2-yl)acetamide
CID 81050051
N-(1-hydroxy-3-methylpentan-2-yl)-2-[4-(2-methyltetrazol-5-yl)phenoxy]acetamide
CID 123132730
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide (CID 102041361) is N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide is CCC(C)[C@@H](CO)NC(=O)COCC(=O)N[C@H](CO)C(C)CC.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide?
The InChIKey is HQHAUNGEWYVAKU-NWINJMCUSA-N. The full InChI is InChI=1S/C16H32N2O5/c1-5-11(3)13(7-19)17-15(21)9-23-10-16(22)18-14(8-20)12(4)6-2/h11-14,19-20H,5-10H2,1-4H3,(H,17,21)(H,18,22)/t11?,12?,13-,14-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide?
N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide has a molecular weight of 332.44 g/mol, XLogP of 0.05, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylpentan-2-yl]-2-[2-[[(2S)-1-hydroxy-3-methylpentan-2-yl]amino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 102041361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).