N-butylacetamide;pyrrolidin-2-ylmethanol

C11H24N2O2 — CID 144581218

IUPACN-butylacetamide;pyrrolidin-2-ylmethanol
SMILESCCCCNC(C)=O.OCC1CCCN1
InChIInChI=1S/C6H13NO.C5H11NO/c1-3-4-5-7-6(2)8;7-4-5-2-1-3-6-5/h3-5H2,1-2H3,(H,7,8);5-7H,1-4H2
InChIKeyWDNUQJFSLITYED-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.65
Rot. Bonds4

About N-butylacetamide;pyrrolidin-2-ylmethanol

N-butylacetamide;pyrrolidin-2-ylmethanol (PubChem CID 144581218) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-butylacetamide;pyrrolidin-2-ylmethanol.

Molecular Properties

Compound NameN-butylacetamide;pyrrolidin-2-ylmethanol
PubChem CID144581218
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-butylacetamide;pyrrolidin-2-ylmethanol
SMILESCCCCNC(C)=O.OCC1CCCN1
InChIInChI=1S/C6H13NO.C5H11NO/c1-3-4-5-7-6(2)8;7-4-5-2-1-3-6-5/h3-5H2,1-2H3,(H,7,8);5-7H,1-4H2
InChIKeyWDNUQJFSLITYED-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-(pyrrolidin-2-ylmethyl)urea
CID 62540044
N-octyl-2-pyrrolidin-2-ylacetamide
CID 115567860
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
piperidin-2-ylmethyl N-butylcarbamate
CID 79337301
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
N-butylacetamide;molecular hydrogen
CID 142252069
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide
CID 106614697
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119728947

Frequently Asked Questions

What is the IUPAC name of N-butylacetamide;pyrrolidin-2-ylmethanol?
The IUPAC name of N-butylacetamide;pyrrolidin-2-ylmethanol (CID 144581218) is N-butylacetamide;pyrrolidin-2-ylmethanol.
What is the SMILES notation for N-butylacetamide;pyrrolidin-2-ylmethanol?
The canonical SMILES for N-butylacetamide;pyrrolidin-2-ylmethanol is CCCCNC(C)=O.OCC1CCCN1.
What is the InChIKey of N-butylacetamide;pyrrolidin-2-ylmethanol?
The InChIKey is WDNUQJFSLITYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C5H11NO/c1-3-4-5-7-6(2)8;7-4-5-2-1-3-6-5/h3-5H2,1-2H3,(H,7,8);5-7H,1-4H2.
What are the key properties of N-butylacetamide;pyrrolidin-2-ylmethanol?
N-butylacetamide;pyrrolidin-2-ylmethanol has a molecular weight of 216.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylacetamide;pyrrolidin-2-ylmethanol is sourced from PubChem (CID 144581218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).