N-tert-butyl-N-(3-hydroxypropyl)acetamide

C9H19NO2 — CID 138079475

IUPACN-tert-butyl-N-(3-hydroxypropyl)acetamide
SMILESCC(=O)N(CCCO)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-8(12)10(6-5-7-11)9(2,3)4/h11H,5-7H2,1-4H3
InChIKeyLZPVLKIKEHEMII-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.02
Rot. Bonds3

About N-tert-butyl-N-(3-hydroxypropyl)acetamide

N-tert-butyl-N-(3-hydroxypropyl)acetamide (PubChem CID 138079475) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-tert-butyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-(3-hydroxypropyl)acetamide
PubChem CID138079475
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-tert-butyl-N-(3-hydroxypropyl)acetamide
SMILESCC(=O)N(CCCO)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-8(12)10(6-5-7-11)9(2,3)4/h11H,5-7H2,1-4H3
InChIKeyLZPVLKIKEHEMII-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-[(Z)-6,6-dimethylhept-4-enyl]acetamide
CID 58798567
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylacetamide
CID 82103606
N-tert-butyl-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056623
N-(3-aminopropyl)-N-tert-butylcarbamate
CID 86608743
N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113056622
tert-butyl-[3-(methylamino)propyl]carbamic acid
CID 118379406
2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
CID 113166139
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
N-(2-chloroethyl)-N-(1-chloro-2-methylpropan-2-yl)acetamide
CID 82078169
3-[tert-butyl(ethyl)amino]propan-1-ol
CID 138079476
2-[acetyl(tert-butyl)amino]-N-cyclopropylacetamide
CID 113166055
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-tert-butyl-N-(3-hydroxypropyl)acetamide (CID 138079475) is N-tert-butyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-tert-butyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-tert-butyl-N-(3-hydroxypropyl)acetamide is CC(=O)N(CCCO)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is LZPVLKIKEHEMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(12)10(6-5-7-11)9(2,3)4/h11H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-N-(3-hydroxypropyl)acetamide?
N-tert-butyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 173.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 138079475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).