3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

C15H24N2O2 — CID 64678742

IUPAC3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CC(C)(C)N
InChIInChI=1S/C15H24N2O2/c1-5-17(14(18)10-15(2,3)16)11-12-6-8-13(19-4)9-7-12/h6-9H,5,10-11,16H2,1-4H3
InChIKeyYRZKBNMMCLWVIQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.17
Rot. Bonds6

About 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 64678742) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID64678742
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CC(C)(C)N
InChIInChI=1S/C15H24N2O2/c1-5-17(14(18)10-15(2,3)16)11-12-6-8-13(19-4)9-7-12/h6-9H,5,10-11,16H2,1-4H3
InChIKeyYRZKBNMMCLWVIQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
2-(tert-butylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112727502
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(methylamino)butanamide
CID 54872486
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203
3-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 64684682
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
(2S)-2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 61163391
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (CID 64678742) is 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide is CCN(Cc1ccc(OC)cc1)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is YRZKBNMMCLWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-17(14(18)10-15(2,3)16)11-12-6-8-13(19-4)9-7-12/h6-9H,5,10-11,16H2,1-4H3.
What are the key properties of 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 64678742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).