4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide

C15H30N2O3 — CID 120592868

IUPAC4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CCCOC1C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-15(2,3)14-11(6-5-7-20-14)10-17-13(18)8-12(9-16)19-4/h11-12,14H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyJDWPHDNOPKSWMK-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.31
Rot. Bonds6

About 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide

4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide (PubChem CID 120592868) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide
PubChem CID120592868
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CCCOC1C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-15(2,3)14-11(6-5-7-20-14)10-17-13(18)8-12(9-16)19-4/h11-12,14H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyJDWPHDNOPKSWMK-UHFFFAOYSA-N
XLogP1.31
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-phenylpropanamide
CID 119951819
7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
CID 119795866
1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
4-amino-3-methoxy-N-(oxolan-3-ylmethyl)butanamide
CID 103154885
3-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-1-cycloheptyl-1-methylurea
CID 99809170
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672
3-[(2-tert-butyloxan-3-yl)methylcarbamoyl-methylamino]propanoic acid
CID 122002792
N-[2-[[N-[(2-tert-butyloxan-3-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111623824
1-[(2-tert-butyloxan-3-yl)methyl]-2,3-dimethylguanidine
CID 111428538
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methoxybutanamide
CID 103155472
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 120590388

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide (CID 120592868) is 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC1CCCOC1C(C)(C)C.
What is the InChIKey of 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide?
The InChIKey is JDWPHDNOPKSWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)14-11(6-5-7-20-14)10-17-13(18)8-12(9-16)19-4/h11-12,14H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide?
4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide has a molecular weight of 286.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-tert-butyloxan-3-yl)methyl]-3-methoxybutanamide is sourced from PubChem (CID 120592868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).