2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide

C12H26N2O2 — CID 86786946

IUPAC2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN[C@H](CO)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-14-11(16)7-13-10(8-15)12(3,4)5/h9-10,13,15H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyFMMLINIKSQWXHJ-SNVBAGLBSA-N
MW230.35 g/mol
LogP0.76
Rot. Bonds6

About 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide

2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 86786946) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
PubChem CID86786946
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN[C@H](CO)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-14-11(16)7-13-10(8-15)12(3,4)5/h9-10,13,15H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyFMMLINIKSQWXHJ-SNVBAGLBSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 65049142
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 114114949
2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 82109644
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 25171160
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-[(2-hydroxy-2,3-dimethylbutyl)amino]-N-(2-methylpropyl)acetamide
CID 114493558
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide (CID 86786946) is 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN[C@H](CO)C(C)(C)C.
What is the InChIKey of 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is FMMLINIKSQWXHJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)6-14-11(16)7-13-10(8-15)12(3,4)5/h9-10,13,15H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide?
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 86786946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).