1-amino-2-phenylundecan-3-one

C17H27NO — CID 116566909

IUPAC1-amino-2-phenylundecan-3-one
SMILESCCCCCCCCC(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-3-4-5-6-10-13-17(19)16(14-18)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3
InChIKeyXRYXLPMKCWOQDE-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.05
Rot. Bonds10

About 1-amino-2-phenylundecan-3-one

1-amino-2-phenylundecan-3-one (PubChem CID 116566909) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-amino-2-phenylundecan-3-one.

Molecular Properties

Compound Name1-amino-2-phenylundecan-3-one
PubChem CID116566909
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-amino-2-phenylundecan-3-one
SMILESCCCCCCCCC(=O)C(CN)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-3-4-5-6-10-13-17(19)16(14-18)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3
InChIKeyXRYXLPMKCWOQDE-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenyltetradecan-4-one
CID 114968845
1-amino-2-phenylhexan-3-one
CID 116566947
2-methyl-4-phenyldecan-5-one
CID 175352694
1-amino-1-phenylheptan-2-one
CID 116551276
1-chloro-1-phenylnonan-2-one
CID 81236884
1-chloro-1-phenyldecan-2-one
CID 81235866
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
ethyl (2S)-3-amino-2-phenylpropanoate
CID 848661
2-methyl-3-phenyloctadec-1-en-4-one
CID 23168846
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
2-phenylheptanamide
CID 67221214
cumene;octanoic acid
CID 174815768

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-phenylundecan-3-one?
The IUPAC name of 1-amino-2-phenylundecan-3-one (CID 116566909) is 1-amino-2-phenylundecan-3-one.
What is the SMILES notation for 1-amino-2-phenylundecan-3-one?
The canonical SMILES for 1-amino-2-phenylundecan-3-one is CCCCCCCCC(=O)C(CN)c1ccccc1.
What is the InChIKey of 1-amino-2-phenylundecan-3-one?
The InChIKey is XRYXLPMKCWOQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-5-6-10-13-17(19)16(14-18)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3.
What are the key properties of 1-amino-2-phenylundecan-3-one?
1-amino-2-phenylundecan-3-one has a molecular weight of 261.41 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-phenylundecan-3-one is sourced from PubChem (CID 116566909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).