3-amino-N-(3-butan-2-yloxyphenyl)propanamide

C13H20N2O2 — CID 62327879

IUPAC3-amino-N-(3-butan-2-yloxyphenyl)propanamide
SMILESCCC(C)Oc1cccc(NC(=O)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-3-10(2)17-12-6-4-5-11(9-12)15-13(16)7-8-14/h4-6,9-10H,3,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBFVDLXVWDNZDCY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds6

About 3-amino-N-(3-butan-2-yloxyphenyl)propanamide

3-amino-N-(3-butan-2-yloxyphenyl)propanamide (PubChem CID 62327879) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-(3-butan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-butan-2-yloxyphenyl)propanamide
PubChem CID62327879
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-(3-butan-2-yloxyphenyl)propanamide
SMILESCCC(C)Oc1cccc(NC(=O)CCN)c1
InChIInChI=1S/C13H20N2O2/c1-3-10(2)17-12-6-4-5-11(9-12)15-13(16)7-8-14/h4-6,9-10H,3,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBFVDLXVWDNZDCY-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244
4-amino-N-(3-propan-2-yloxyphenyl)butanamide
CID 92930679
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835772
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)propanamide (CID 62327879) is 3-amino-N-(3-butan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(3-butan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(3-butan-2-yloxyphenyl)propanamide is CCC(C)Oc1cccc(NC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-(3-butan-2-yloxyphenyl)propanamide?
The InChIKey is BFVDLXVWDNZDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10(2)17-12-6-4-5-11(9-12)15-13(16)7-8-14/h4-6,9-10H,3,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(3-butan-2-yloxyphenyl)propanamide?
3-amino-N-(3-butan-2-yloxyphenyl)propanamide has a molecular weight of 236.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 62327879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).