3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide

C16H26N2O2 — CID 82152691

IUPAC3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C16H26N2O2/c1-5-12(4)18-16(19)9-7-13-6-8-15(14(17)10-13)20-11(2)3/h6,8,10-12H,5,7,9,17H2,1-4H3,(H,18,19)
InChIKeyYBOGEPHAYUEQOV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.90
Rot. Bonds7

About 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide

3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide (PubChem CID 82152691) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
PubChem CID82152691
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C16H26N2O2/c1-5-12(4)18-16(19)9-7-13-6-8-15(14(17)10-13)20-11(2)3/h6,8,10-12H,5,7,9,17H2,1-4H3,(H,18,19)
InChIKeyYBOGEPHAYUEQOV-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.90
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-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
CID 82152706
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 94759107
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
3-(3-amino-4-morpholin-4-ylphenyl)-N-butan-2-ylpropanamide
CID 82027749
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071517
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide (CID 82152691) is 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCc1ccc(OC(C)C)c(N)c1.
What is the InChIKey of 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide?
The InChIKey is YBOGEPHAYUEQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12(4)18-16(19)9-7-13-6-8-15(14(17)10-13)20-11(2)3/h6,8,10-12H,5,7,9,17H2,1-4H3,(H,18,19).
What are the key properties of 3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide?
3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.90, 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-butan-2-ylpropanamide is sourced from PubChem (CID 82152691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).