4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide

C14H24N2O3 — CID 103155199

IUPAC4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
SMILESCOC(CN)CC(=O)N(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C14H24N2O3/c1-10(2)16(9-12-6-5-11(3)19-12)14(17)7-13(8-15)18-4/h5-6,10,13H,7-9,15H2,1-4H3
InChIKeyCKDIFCWAMRDJPR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.69
Rot. Bonds7

About 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide

4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide (PubChem CID 103155199) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
PubChem CID103155199
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
SMILESCOC(CN)CC(=O)N(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C14H24N2O3/c1-10(2)16(9-12-6-5-11(3)19-12)14(17)7-13(8-15)18-4/h5-6,10,13H,7-9,15H2,1-4H3
InChIKeyCKDIFCWAMRDJPR-UHFFFAOYSA-N
XLogP1.69
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
4-amino-3-methoxy-N-[(4-nitrophenyl)methyl]-N-propan-2-ylbutanamide
CID 120590125
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 55081016
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
4-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 79511403
4-amino-N-(2-amino-2-oxoethyl)-3-methoxy-N-propan-2-ylbutanamide
CID 103154388
phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
CID 61068434
1-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclopentane-1-carboxamide
CID 115435030
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide (CID 103155199) is 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide is COC(CN)CC(=O)N(Cc1ccc(C)o1)C(C)C.
What is the InChIKey of 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is CKDIFCWAMRDJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)16(9-12-6-5-11(3)19-12)14(17)7-13(8-15)18-4/h5-6,10,13H,7-9,15H2,1-4H3.
What are the key properties of 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 103155199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).