N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide

C13H28N2O2 — CID 61246884

IUPACN-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
SMILESCC(C)CC(CO)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)7-11(8-16)14-10(3)12(17)15-13(4,5)6/h9-11,14,16H,7-8H2,1-6H3,(H,15,17)
InChIKeyDPXPTRJRNKKQJT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.29
Rot. Bonds6

About N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide

N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide (PubChem CID 61246884) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
PubChem CID61246884
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
SMILESCC(C)CC(CO)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-9(2)7-11(8-16)14-10(3)12(17)15-13(4,5)6/h9-11,14,16H,7-8H2,1-6H3,(H,15,17)
InChIKeyDPXPTRJRNKKQJT-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
CID 43372165
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
CID 61247605
2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61247308
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
2-(tert-butylamino)-4-methylpentan-1-ol
CID 20608688
2-(2,6-dimethylheptan-4-ylamino)propanoic acid
CID 61499456
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
3-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 113406989
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
N'-hydroxy-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanimidamide
CID 77032703
N-tert-butyl-2-(1-cyclopropylethylamino)propanamide
CID 43401275

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide (CID 61246884) is N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide is CC(C)CC(CO)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
The InChIKey is DPXPTRJRNKKQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-9(2)7-11(8-16)14-10(3)12(17)15-13(4,5)6/h9-11,14,16H,7-8H2,1-6H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide?
N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide has a molecular weight of 244.38 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide is sourced from PubChem (CID 61246884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).