2-amino-1-(4-decoxyphenyl)propan-1-one

C19H31NO2 — CID 19897003

IUPAC2-amino-1-(4-decoxyphenyl)propan-1-one
SMILESCCCCCCCCCCOc1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-15-22-18-13-11-17(12-14-18)19(21)16(2)20/h11-14,16H,3-10,15,20H2,1-2H3
InChIKeyRAFAGVIYEBYEKR-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.74
Rot. Bonds12

About 2-amino-1-(4-decoxyphenyl)propan-1-one

2-amino-1-(4-decoxyphenyl)propan-1-one (PubChem CID 19897003) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-amino-1-(4-decoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-decoxyphenyl)propan-1-one
PubChem CID19897003
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-amino-1-(4-decoxyphenyl)propan-1-one
SMILESCCCCCCCCCCOc1ccc(C(=O)C(C)N)cc1
InChIInChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-15-22-18-13-11-17(12-14-18)19(21)16(2)20/h11-14,16H,3-10,15,20H2,1-2H3
InChIKeyRAFAGVIYEBYEKR-UHFFFAOYSA-N
XLogP4.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-(4-pentoxyphenyl)ethanone
CID 82627435
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-decoxybenzoate
CID 3706251
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
4-hexoxybenzenecarbothioic S-acid
CID 54321336
4-hexadecoxybenzenecarbothioic S-acid
CID 54096930
4-octoxybenzenecarbothioic S-acid
CID 54199647
ethane;4-octoxybenzoic acid
CID 144740890
(4-hexoxybenzoyl) 4-hexoxybenzoate
CID 71407529
3-ethoxy-2-methyl-1-[4-(4-octoxyphenyl)phenyl]propan-1-one
CID 20670548
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609
butan-2-yl 4-hexoxybenzoate
CID 82186259

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-decoxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(4-decoxyphenyl)propan-1-one (CID 19897003) is 2-amino-1-(4-decoxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(4-decoxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(4-decoxyphenyl)propan-1-one is CCCCCCCCCCOc1ccc(C(=O)C(C)N)cc1.
What is the InChIKey of 2-amino-1-(4-decoxyphenyl)propan-1-one?
The InChIKey is RAFAGVIYEBYEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-15-22-18-13-11-17(12-14-18)19(21)16(2)20/h11-14,16H,3-10,15,20H2,1-2H3.
What are the key properties of 2-amino-1-(4-decoxyphenyl)propan-1-one?
2-amino-1-(4-decoxyphenyl)propan-1-one has a molecular weight of 305.46 g/mol, XLogP of 4.74, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-decoxyphenyl)propan-1-one is sourced from PubChem (CID 19897003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).