2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide

C15H24N2O2 — CID 62474789

IUPAC2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
SMILESCOCCC(N)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)17(11-13-7-5-4-6-8-13)15(18)14(16)9-10-19-3/h4-8,12,14H,9-11,16H2,1-3H3
InChIKeyPROQUIOWMCJFKN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.79
Rot. Bonds7

About 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide

2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide (PubChem CID 62474789) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
PubChem CID62474789
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
SMILESCOCCC(N)C(=O)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)17(11-13-7-5-4-6-8-13)15(18)14(16)9-10-19-3/h4-8,12,14H,9-11,16H2,1-3H3
InChIKeyPROQUIOWMCJFKN-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
CID 62473405
2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 55081016
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172
benzyl 2-amino-4-methoxybutanoate
CID 62479875
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
5-amino-N-benzyl-2-methyl-N-propan-2-ylpentanamide
CID 104683482
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
(2S)-2-amino-4-phenyl-N-propan-2-yl-N-propylbutanamide
CID 104983873
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide?
The IUPAC name of 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide (CID 62474789) is 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide?
The canonical SMILES for 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide is COCCC(N)C(=O)N(Cc1ccccc1)C(C)C.
What is the InChIKey of 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide?
The InChIKey is PROQUIOWMCJFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)17(11-13-7-5-4-6-8-13)15(18)14(16)9-10-19-3/h4-8,12,14H,9-11,16H2,1-3H3.
What are the key properties of 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide?
2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide is sourced from PubChem (CID 62474789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).