acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide

C18H36N4O4 — CID 143730813

IUPACacetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide
SMILESCC(N)=O.CCCCNC(=O)CN(CC(=O)NCCCC)C(=O)CCC
InChIInChI=1S/C16H31N3O3.C2H5NO/c1-4-7-10-17-14(20)12-19(16(22)9-6-3)13-15(21)18-11-8-5-2;1-2(3)4/h4-13H2,1-3H3,(H,17,20)(H,18,21);1H3,(H2,3,4)
InChIKeyREGFIKXMAWFXMB-UHFFFAOYSA-N
MW372.51 g/mol
LogP0.94
Rot. Bonds12

About acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide

acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide (PubChem CID 143730813) has the molecular formula C18H36N4O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Nameacetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide
PubChem CID143730813
Molecular FormulaC18H36N4O4
Molecular Weight372.51 g/mol
Exact Mass372.27
IUPAC Nameacetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide
SMILESCC(N)=O.CCCCNC(=O)CN(CC(=O)NCCCC)C(=O)CCC
InChIInChI=1S/C16H31N3O3.C2H5NO/c1-4-7-10-17-14(20)12-19(16(22)9-6-3)13-15(21)18-11-8-5-2;1-2(3)4/h4-13H2,1-3H3,(H,17,20)(H,18,21);1H3,(H2,3,4)
InChIKeyREGFIKXMAWFXMB-UHFFFAOYSA-N
XLogP0.94
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 50.94
H-Bond Donors ≤ 53
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-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
CID 59053098
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
N-butyl-2-(diethylamino)acetamide
CID 54813643
N'-butylbutanediamide
CID 12550556
6-[[2-[3-acetamidopropanoyl-[2-[(6-amino-5-methyl-6-oxohexyl)amino]-2-oxoethyl]amino]acetyl]amino]-2-methylhexanamide
CID 90775563
ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
N-butyl-2-(dipropylamino)acetamide
CID 54817378
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
N-(2,3-dihydroxypropyl)-N-[2-(octadecylamino)-2-oxoethyl]hexadecanamide
CID 153406102
N-(2,9-dioxoundecyl)-N'-methyl-N-[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-oxononanediamide;N-[2-(methylamino)-2-oxoethyl]-N-(2-oxobutyl)butanamide;N'-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-N-(2-oxobutyl)nonanediamide
CID 161119382
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
N-(3-acetamidopropyl)-N-(3-amino-3-sulfanylidenepropyl)butanamide
CID 82104258

Frequently Asked Questions

What is the IUPAC name of acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide?
The IUPAC name of acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide (CID 143730813) is acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide?
The canonical SMILES for acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide is CC(N)=O.CCCCNC(=O)CN(CC(=O)NCCCC)C(=O)CCC.
What is the InChIKey of acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide?
The InChIKey is REGFIKXMAWFXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3.C2H5NO/c1-4-7-10-17-14(20)12-19(16(22)9-6-3)13-15(21)18-11-8-5-2;1-2(3)4/h4-13H2,1-3H3,(H,17,20)(H,18,21);1H3,(H2,3,4).
What are the key properties of acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide?
acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide has a molecular weight of 372.51 g/mol, XLogP of 0.94, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 143730813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).