3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide

C17H29N3O2 — CID 94759066

IUPAC3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCCN(CC)CC)cc1N
InChIInChI=1S/C17H29N3O2/c1-4-20(5-2)12-11-19-17(21)10-8-14-7-9-16(22-6-3)15(18)13-14/h7,9,13H,4-6,8,10-12,18H2,1-3H3,(H,19,21)
InChIKeyFVRBDXKYGHWMGT-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.06
Rot. Bonds10

About 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide

3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 94759066) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
PubChem CID94759066
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCCN(CC)CC)cc1N
InChIInChI=1S/C17H29N3O2/c1-4-20(5-2)12-11-19-17(21)10-8-14-7-9-16(22-6-3)15(18)13-14/h7,9,13H,4-6,8,10-12,18H2,1-3H3,(H,19,21)
InChIKeyFVRBDXKYGHWMGT-UHFFFAOYSA-N
XLogP2.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82153638
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline
CID 82256179
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide (CID 94759066) is 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide is CCOc1ccc(CCC(=O)NCCN(CC)CC)cc1N.
What is the InChIKey of 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is FVRBDXKYGHWMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-20(5-2)12-11-19-17(21)10-8-14-7-9-16(22-6-3)15(18)13-14/h7,9,13H,4-6,8,10-12,18H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide?
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 307.44 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 94759066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).