3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide

C20H26N2O2 — CID 82152706

IUPAC3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NC(C)c2ccccc2)cc1N
InChIInChI=1S/C20H26N2O2/c1-14(2)24-19-11-9-16(13-18(19)21)10-12-20(23)22-15(3)17-7-5-4-6-8-17/h4-9,11,13-15H,10,12,21H2,1-3H3,(H,22,23)
InChIKeyHVHNTBVXGNYWNG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.87
Rot. Bonds7

About 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide

3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide (PubChem CID 82152706) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
PubChem CID82152706
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)NC(C)c2ccccc2)cc1N
InChIInChI=1S/C20H26N2O2/c1-14(2)24-19-11-9-16(13-18(19)21)10-12-20(23)22-15(3)17-7-5-4-6-8-17/h4-9,11,13-15H,10,12,21H2,1-3H3,(H,22,23)
InChIKeyHVHNTBVXGNYWNG-UHFFFAOYSA-N
XLogP3.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
3-(4-methoxy-3-methylphenyl)-N-(1-phenylethyl)propanamide
CID 133161337
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 94759107
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
3-(3-chloro-4-methylphenyl)-N-(1-phenylethyl)propanamide
CID 42925205
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide (CID 82152706) is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide is CC(C)Oc1ccc(CCC(=O)NC(C)c2ccccc2)cc1N.
What is the InChIKey of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide?
The InChIKey is HVHNTBVXGNYWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)24-19-11-9-16(13-18(19)21)10-12-20(23)22-15(3)17-7-5-4-6-8-17/h4-9,11,13-15H,10,12,21H2,1-3H3,(H,22,23).
What are the key properties of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide?
3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 82152706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).