3-amino-N-[(2-ethoxyphenyl)methyl]propanamide

C12H18N2O2 — CID 82677450

IUPAC3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)CCN
InChIInChI=1S/C12H18N2O2/c1-2-16-11-6-4-3-5-10(11)9-14-12(15)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyKSNMTNCNUXEOPI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds6

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

3-amino-N-[(2-ethoxyphenyl)methyl]propanamide (PubChem CID 82677450) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
PubChem CID82677450
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
SMILESCCOc1ccccc1CNC(=O)CCN
InChIInChI=1S/C12H18N2O2/c1-2-16-11-6-4-3-5-10(11)9-14-12(15)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeyKSNMTNCNUXEOPI-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
4-[(2-ethoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133691
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
3-(3,4-dimethoxyphenyl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43908307
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
CID 91267866
3-[[N-[(2-ethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111881700
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide (CID 82677450) is 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide is CCOc1ccccc1CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide?
The InChIKey is KSNMTNCNUXEOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-11-6-4-3-5-10(11)9-14-12(15)7-8-13/h3-6H,2,7-9,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide?
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-ethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 82677450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).