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

C14H24N2O3 — CID 55081016

IUPAC2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
SMILESCOCCC(N)C(=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)13(15)7-8-18-4/h5-6,10,13H,7-9,15H2,1-4H3
InChIKeyBFZRQGAHDDYUJU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.69
Rot. Bonds7

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

2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide (PubChem CID 55081016) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
PubChem CID55081016
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
SMILESCOCCC(N)C(=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)13(15)7-8-18-4/h5-6,10,13H,7-9,15H2,1-4H3
InChIKeyBFZRQGAHDDYUJU-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

2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
CID 62474789
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115286690
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 43650292
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
CID 61068434
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide (CID 55081016) is 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide is COCCC(N)C(=O)N(Cc1ccc(C)o1)C(C)C.
What is the InChIKey of 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is BFZRQGAHDDYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)16(9-12-6-5-11(3)19-12)14(17)13(15)7-8-18-4/h5-6,10,13H,7-9,15H2,1-4H3.
What are the key properties of 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide?
2-amino-4-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 2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 55081016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).