4-amino-N-(3-propan-2-yloxyphenyl)butanamide

C13H20N2O2 — CID 92930679

IUPAC4-amino-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-12-6-3-5-11(9-12)15-13(16)7-4-8-14/h3,5-6,9-10H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyRIPMFGHJXHNMTM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.15
Rot. Bonds6

About 4-amino-N-(3-propan-2-yloxyphenyl)butanamide

4-amino-N-(3-propan-2-yloxyphenyl)butanamide (PubChem CID 92930679) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-(3-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(3-propan-2-yloxyphenyl)butanamide
PubChem CID92930679
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-(3-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1cccc(NC(=O)CCCN)c1
InChIInChI=1S/C13H20N2O2/c1-10(2)17-12-6-3-5-11(9-12)15-13(16)7-4-8-14/h3,5-6,9-10H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyRIPMFGHJXHNMTM-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

5-oxo-5-(3-propan-2-yloxyanilino)pentanoic acid
CID 17154732
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
6-(3-butan-2-yloxyanilino)-6-oxohexanoic acid
CID 62324858
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
N'-(3-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955570

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 4-amino-N-(3-propan-2-yloxyphenyl)butanamide (CID 92930679) is 4-amino-N-(3-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(3-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 4-amino-N-(3-propan-2-yloxyphenyl)butanamide is CC(C)Oc1cccc(NC(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-(3-propan-2-yloxyphenyl)butanamide?
The InChIKey is RIPMFGHJXHNMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)17-12-6-3-5-11(9-12)15-13(16)7-4-8-14/h3,5-6,9-10H,4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(3-propan-2-yloxyphenyl)butanamide?
4-amino-N-(3-propan-2-yloxyphenyl)butanamide 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 4-amino-N-(3-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 92930679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).