N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide

C13H27NO3 — CID 111477947

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCOC(C)C
InChIInChI=1S/C13H27NO3/c1-6-11(4)13(5,16)9-14-12(15)7-8-17-10(2)3/h10-11,16H,6-9H2,1-5H3,(H,14,15)
InChIKeyDIJPTVSYIUAXEL-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.71
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide

N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide (PubChem CID 111477947) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide
PubChem CID111477947
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCOC(C)C
InChIInChI=1S/C13H27NO3/c1-6-11(4)13(5,16)9-14-12(15)7-8-17-10(2)3/h10-11,16H,6-9H2,1-5H3,(H,14,15)
InChIKeyDIJPTVSYIUAXEL-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylpentyl)-2-methoxyacetamide
CID 111446457
N-[3-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111477872
1-(2-hydroxy-2,3-dimethylpentyl)-3-pentan-3-ylurea
CID 111120801
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
CID 111484023
N-[(2R)-2-(ethylamino)propyl]-3-propan-2-yloxypropanamide
CID 120655011
3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111478082
3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111446592
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
N-(2-hydroxy-2,3-dimethylpentyl)cyclopentanecarboxamide
CID 111463685
N-(2-hydroxy-2,3-dimethylpentyl)-2-(oxan-4-yl)propanamide
CID 109476485
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
2-methyl-2-(3-propan-2-yloxypropanoylamino)pentanoic acid
CID 119191930

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide (CID 111477947) is N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide is CCC(C)C(C)(O)CNC(=O)CCOC(C)C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide?
The InChIKey is DIJPTVSYIUAXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-6-11(4)13(5,16)9-14-12(15)7-8-17-10(2)3/h10-11,16H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide?
N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide has a molecular weight of 245.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 111477947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).