2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide

C14H22N2O2 — CID 39353229

IUPAC2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
SMILESCCOc1cccc(CN(C(=O)CN)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-13-7-5-6-12(8-13)10-16(11(2)3)14(17)9-15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyURQZLHUNSXQMKO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide

2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide (PubChem CID 39353229) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
PubChem CID39353229
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
SMILESCCOc1cccc(CN(C(=O)CN)C(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-4-18-13-7-5-6-12(8-13)10-16(11(2)3)14(17)9-15/h5-8,11H,4,9-10,15H2,1-3H3
InChIKeyURQZLHUNSXQMKO-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-[(4-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353233
[3-[[butanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 42775474
2-amino-N-propan-2-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66569001
N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
CID 547381
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
[3-[[nonanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 4197524
3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
CID 55733109
2-[N-[(3-ethoxyphenyl)methyl]anilino]acetic acid
CID 39385265
(3-ethoxyphenyl)methanethiol
CID 79885244
(2S)-4-(3-ethoxyphenyl)butan-2-amine
CID 94920485

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide (CID 39353229) is 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide is CCOc1cccc(CN(C(=O)CN)C(C)C)c1.
What is the InChIKey of 2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is URQZLHUNSXQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-13-7-5-6-12(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-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide?
2-amino-N-[(3-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-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 39353229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).