N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide

C15H28N2O3 — CID 122140485

IUPACN-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1(CNC(=O)CCC)CCOCC1
InChIInChI=1S/C15H28N2O3/c1-3-5-13(18)16-11-15(7-9-20-10-8-15)12-17-14(19)6-4-2/h3-12H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHUSOABYOQVXKNO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.62
Rot. Bonds8

About N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide

N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide (PubChem CID 122140485) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide
PubChem CID122140485
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide
SMILESCCCC(=O)NCC1(CNC(=O)CCC)CCOCC1
InChIInChI=1S/C15H28N2O3/c1-3-5-13(18)16-11-15(7-9-20-10-8-15)12-17-14(19)6-4-2/h3-12H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHUSOABYOQVXKNO-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
N-[[1-(chloromethyl)cyclopropyl]methyl]butanamide
CID 115456097
ethyl N-[[4-(hydroxymethyl)oxan-4-yl]methyl]carbamate
CID 110292759
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
N-[[1-(methylaminomethyl)cyclobutyl]methyl]-3-(oxan-4-yl)propanamide
CID 115272152
N-[[1-(aminomethyl)cyclopentyl]methyl]heptanamide
CID 114754126
4-[(propanoylamino)methyl]oxane-4-carboxylic acid
CID 115438294
N-[2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methylamino]-2-oxoethyl]butanamide
CID 86833800
N-[[4-(aminomethyl)oxan-4-yl]methyl]-2-phenylacetamide
CID 18614335
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
4-(4-chlorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-oxobutanamide
CID 110310297

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide?
The IUPAC name of N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide (CID 122140485) is N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide.
What is the SMILES notation for N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide?
The canonical SMILES for N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide is CCCC(=O)NCC1(CNC(=O)CCC)CCOCC1.
What is the InChIKey of N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide?
The InChIKey is HUSOABYOQVXKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-5-13(18)16-11-15(7-9-20-10-8-15)12-17-14(19)6-4-2/h3-12H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide?
N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide has a molecular weight of 284.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(butanoylamino)methyl]oxan-4-yl]methyl]butanamide is sourced from PubChem (CID 122140485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).