3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide

C16H26N2O2 — CID 82152739

IUPAC3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCC(C)C)cc1N
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-13(10-14(15)17)6-8-16(19)18-11-12(2)3/h5,7,10,12H,4,6,8-9,11,17H2,1-3H3,(H,18,19)
InChIKeySVPJAKMNXYPSLC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.76
Rot. Bonds8

About 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide

3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide (PubChem CID 82152739) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
PubChem CID82152739
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NCC(C)C)cc1N
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-13(10-14(15)17)6-8-16(19)18-11-12(2)3/h5,7,10,12H,4,6,8-9,11,17H2,1-3H3,(H,18,19)
InChIKeySVPJAKMNXYPSLC-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.76
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-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 94759139
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
3-[3-amino-4-(diethylamino)phenyl]-N-(2-methylpropyl)propanamide
CID 39112436
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
CID 94760274
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide (CID 82152739) is 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide is CCCOc1ccc(CCC(=O)NCC(C)C)cc1N.
What is the InChIKey of 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide?
The InChIKey is SVPJAKMNXYPSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-13(10-14(15)17)6-8-16(19)18-11-12(2)3/h5,7,10,12H,4,6,8-9,11,17H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide?
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 82152739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).