2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide

C16H26N2O2 — CID 76895070

IUPAC2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-20-13-9-7-12(8-10-13)11-18(5)15(19)14(17)16(2,3)4/h7-10,14H,6,11,17H2,1-5H3
InChIKeyZGNUIQIIQWXXSD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide

2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide (PubChem CID 76895070) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
PubChem CID76895070
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)C(N)C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-6-20-13-9-7-12(8-10-13)11-18(5)15(19)14(17)16(2,3)4/h7-10,14H,6,11,17H2,1-5H3
InChIKeyZGNUIQIIQWXXSD-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
(2S)-2-amino-N,3,3-trimethyl-N-[(4-methylphenyl)methyl]butanamide;hydrochloride
CID 119681885
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929069
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
benzyl N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55942821
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide (CID 76895070) is 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide is CCOc1ccc(CN(C)C(=O)C(N)C(C)(C)C)cc1.
What is the InChIKey of 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
The InChIKey is ZGNUIQIIQWXXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-20-13-9-7-12(8-10-13)11-18(5)15(19)14(17)16(2,3)4/h7-10,14H,6,11,17H2,1-5H3.
What are the key properties of 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide?
2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethoxyphenyl)methyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 76895070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).