2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide

C16H26N2O2 — CID 62473405

IUPAC2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(N)CCOC
InChIInChI=1S/C16H26N2O2/c1-4-13(2)18(12-14-8-6-5-7-9-14)16(19)15(17)10-11-20-3/h5-9,13,15H,4,10-12,17H2,1-3H3
InChIKeyQURRBHYHUKQIND-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds8

About 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide

2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide (PubChem CID 62473405) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
PubChem CID62473405
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)C(N)CCOC
InChIInChI=1S/C16H26N2O2/c1-4-13(2)18(12-14-8-6-5-7-9-14)16(19)15(17)10-11-20-3/h5-9,13,15H,4,10-12,17H2,1-3H3
InChIKeyQURRBHYHUKQIND-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-4-methoxy-N-propan-2-ylbutanamide
CID 62474789
(2R)-2-amino-N-benzyl-N-butan-2-yl-4-methylsulfanylbutanamide
CID 104907611
(2R)-2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-phenylpropanamide
CID 78985515
benzyl(butan-2-yl)carbamic acid
CID 18954164
3-amino-N-benzyl-N-butan-2-yl-2-methyl-3-phenylpropanamide
CID 119688833
(2S)-2-amino-N-(2-methoxyethyl)-N-pentan-3-yl-3-phenylpropanamide
CID 61163372
(2S)-2-amino-N-benzyl-N-(2-methoxyethyl)pentanamide
CID 93367288
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
CID 81082232
2-hydroxyethyl N-benzyl-N-butan-2-ylcarbamate
CID 79345421
(2R)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 78985414
(2S)-2-amino-N-ethyl-N-(1-methoxypropan-2-yl)-3-phenylpropanamide
CID 61163368
benzyl 2-amino-4-methoxybutanoate
CID 62479875

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide?
The IUPAC name of 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide (CID 62473405) is 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide is CCC(C)N(Cc1ccccc1)C(=O)C(N)CCOC.
What is the InChIKey of 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide?
The InChIKey is QURRBHYHUKQIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13(2)18(12-14-8-6-5-7-9-14)16(19)15(17)10-11-20-3/h5-9,13,15H,4,10-12,17H2,1-3H3.
What are the key properties of 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide?
2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-butan-2-yl-4-methoxybutanamide is sourced from PubChem (CID 62473405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).