3-[2-(heptan-4-ylamino)phenoxy]propanamide

C16H26N2O2 — CID 43729781

IUPAC3-[2-(heptan-4-ylamino)phenoxy]propanamide
SMILESCCCC(CCC)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C16H26N2O2/c1-3-7-13(8-4-2)18-14-9-5-6-10-15(14)20-12-11-16(17)19/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3,(H2,17,19)
InChIKeyXIRHJLCNNCGZSX-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.32
Rot. Bonds10

About 3-[2-(heptan-4-ylamino)phenoxy]propanamide

3-[2-(heptan-4-ylamino)phenoxy]propanamide (PubChem CID 43729781) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[2-(heptan-4-ylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(heptan-4-ylamino)phenoxy]propanamide
PubChem CID43729781
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[2-(heptan-4-ylamino)phenoxy]propanamide
SMILESCCCC(CCC)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C16H26N2O2/c1-3-7-13(8-4-2)18-14-9-5-6-10-15(14)20-12-11-16(17)19/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3,(H2,17,19)
InChIKeyXIRHJLCNNCGZSX-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-amino-3-oxopropoxy)anilino]propanoic acid
CID 66173726
3-[2-(1-methoxypropan-2-ylamino)phenoxy]propanamide
CID 62534715
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
CID 82849580
3-(2-ethoxyanilino)propanamide
CID 43131857

Frequently Asked Questions

What is the IUPAC name of 3-[2-(heptan-4-ylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(heptan-4-ylamino)phenoxy]propanamide (CID 43729781) is 3-[2-(heptan-4-ylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(heptan-4-ylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(heptan-4-ylamino)phenoxy]propanamide is CCCC(CCC)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-(heptan-4-ylamino)phenoxy]propanamide?
The InChIKey is XIRHJLCNNCGZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-7-13(8-4-2)18-14-9-5-6-10-15(14)20-12-11-16(17)19/h5-6,9-10,13,18H,3-4,7-8,11-12H2,1-2H3,(H2,17,19).
What are the key properties of 3-[2-(heptan-4-ylamino)phenoxy]propanamide?
3-[2-(heptan-4-ylamino)phenoxy]propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(heptan-4-ylamino)phenoxy]propanamide is sourced from PubChem (CID 43729781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).