N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide

C22H45N3O4 — CID 142117227

IUPACN-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide
SMILESCC(=O)N1CCOCC1.CCCCCN(CCC)C(C)=O.CCCCNC(C)=O
InChIInChI=1S/C10H21NO.C6H11NO2.C6H13NO/c1-4-6-7-9-11(8-5-2)10(3)12;1-6(8)7-2-4-9-5-3-7;1-3-4-5-7-6(2)8/h4-9H2,1-3H3;2-5H2,1H3;3-5H2,1-2H3,(H,7,8)
InChIKeyWRTGYRJDTHTLIH-UHFFFAOYSA-N
MW415.62 g/mol
LogP3.22
Rot. Bonds9

About N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide

N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide (PubChem CID 142117227) has the molecular formula C22H45N3O4 and a molecular weight of 415.62 g/mol. Its IUPAC name is N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide.

Molecular Properties

Compound NameN-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide
PubChem CID142117227
Molecular FormulaC22H45N3O4
Molecular Weight415.62 g/mol
Exact Mass415.34
IUPAC NameN-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide
SMILESCC(=O)N1CCOCC1.CCCCCN(CCC)C(C)=O.CCCCNC(C)=O
InChIInChI=1S/C10H21NO.C6H11NO2.C6H13NO/c1-4-6-7-9-11(8-5-2)10(3)12;1-6(8)7-2-4-9-5-3-7;1-3-4-5-7-6(2)8/h4-9H2,1-3H3;2-5H2,1H3;3-5H2,1-2H3,(H,7,8)
InChIKeyWRTGYRJDTHTLIH-UHFFFAOYSA-N
XLogP3.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.62
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-pentylmorpholine-4-carboxamide
CID 111119288
N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide
CID 3091
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
N-butyl-N-heptylacetamide
CID 91713167
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pentylacetamide
CID 113166654
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
N-propylmorpholine-4-carboxamide
CID 3410822
N-butyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 113406059
1-(morpholine-4-carbonyl)-N-pentylcyclopropane-1-carboxamide
CID 108973097

Frequently Asked Questions

What is the IUPAC name of N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide?
The IUPAC name of N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide (CID 142117227) is N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide.
What is the SMILES notation for N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide?
The canonical SMILES for N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide is CC(=O)N1CCOCC1.CCCCCN(CCC)C(C)=O.CCCCNC(C)=O.
What is the InChIKey of N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide?
The InChIKey is WRTGYRJDTHTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C6H11NO2.C6H13NO/c1-4-6-7-9-11(8-5-2)10(3)12;1-6(8)7-2-4-9-5-3-7;1-3-4-5-7-6(2)8/h4-9H2,1-3H3;2-5H2,1H3;3-5H2,1-2H3,(H,7,8).
What are the key properties of N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide?
N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide has a molecular weight of 415.62 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylacetamide;1-morpholin-4-ylethanone;N-pentyl-N-propylacetamide is sourced from PubChem (CID 142117227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).