2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide

C12H26N2O — CID 43372222

IUPAC2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)CC(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)6-11(5)13-8-12(15)14-7-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyKNLRKSMMCPGNEV-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.78
Rot. Bonds7

About 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide

2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide (PubChem CID 43372222) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
PubChem CID43372222
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(C)CC(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)6-11(5)13-8-12(15)14-7-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,14,15)
InChIKeyKNLRKSMMCPGNEV-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372205
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
N-butan-2-yl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 113228551
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-N-(2-methylpropyl)acetamide
CID 86786946
N,N-dimethyl-2-(4-methylpentan-2-ylamino)acetamide
CID 43310901
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 65049142
3-[[2-(butan-2-ylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675191
2-(3-methylbut-2-enylamino)-N-(2-methylpropyl)acetamide
CID 106547161
2-[(1-ethoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 114114949

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide (CID 43372222) is 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(C)CC(C)C.
What is the InChIKey of 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide?
The InChIKey is KNLRKSMMCPGNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)6-11(5)13-8-12(15)14-7-10(3)4/h9-11,13H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide?
2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide has a molecular weight of 214.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43372222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).