2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide

C14H22N2O2 — CID 39353233

IUPAC2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
SMILESCCOc1ccc(CN(C(=O)CN)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-18-13-7-5-12(6-8-13)10-16(11(2)3)14(17)9-15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyLWZKJUJVWOTNEL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide

2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 39353233) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
PubChem CID39353233
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
SMILESCCOc1ccc(CN(C(=O)CN)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-4-18-13-7-5-12(6-8-13)10-16(11(2)3)14(17)9-15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyLWZKJUJVWOTNEL-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353229
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
2-(4-ethoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039311
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112501771
2-amino-N-propan-2-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66569001
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884679
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001
3-amino-N-[(4-methylphenyl)methyl]-N-propan-2-ylpropanamide
CID 92930297
4-[(4-ethoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497496

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide (CID 39353233) is 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide is CCOc1ccc(CN(C(=O)CN)C(C)C)cc1.
What is the InChIKey of 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is LWZKJUJVWOTNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-13-7-5-12(6-8-13)10-16(11(2)3)14(17)9-15/h5-8,11H,4,9-10,15H2,1-3H3.
What are the key properties of 2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
2-amino-N-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.78, 6 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-propan-2-ylacetamide is sourced from PubChem (CID 39353233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).