[2-(2-aminoacetyl)phenyl] nonanoate

C17H25NO3 — CID 18971010

IUPAC[2-(2-aminoacetyl)phenyl] nonanoate
SMILESCCCCCCCCC(=O)Oc1ccccc1C(=O)CN
InChIInChI=1S/C17H25NO3/c1-2-3-4-5-6-7-12-17(20)21-16-11-9-8-10-14(16)15(19)13-18/h8-11H,2-7,12-13,18H2,1H3
InChIKeyTVPWRFFLAQZXBQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.48
Rot. Bonds10

About [2-(2-aminoacetyl)phenyl] nonanoate

[2-(2-aminoacetyl)phenyl] nonanoate (PubChem CID 18971010) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [2-(2-aminoacetyl)phenyl] nonanoate.

Molecular Properties

Compound Name[2-(2-aminoacetyl)phenyl] nonanoate
PubChem CID18971010
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[2-(2-aminoacetyl)phenyl] nonanoate
SMILESCCCCCCCCC(=O)Oc1ccccc1C(=O)CN
InChIInChI=1S/C17H25NO3/c1-2-3-4-5-6-7-12-17(20)21-16-11-9-8-10-14(16)15(19)13-18/h8-11H,2-7,12-13,18H2,1H3
InChIKeyTVPWRFFLAQZXBQ-UHFFFAOYSA-N
XLogP3.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-nonanoyloxyphenyl) undecanoate
CID 90023956
2-nonanoyloxybenzenecarboperoxoic acid
CID 141006695
dodecanoyl 2-dodecanoyloxybenzoate
CID 57293132
2-amino-1-(2-hexadecoxyphenyl)ethanone
CID 170860308
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
10-O-(2-acetylphenyl) 1-O-heptyl decanedioate
CID 91729444
[2-[2-[2-(2-nonanoyloxybenzoyl)benzoyl]peroxycarbonylbenzoyl]phenyl] nonanoate
CID 87310604
(2-butylphenyl) heptanoate
CID 174752074
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-benzoylperoxycarbonylphenyl) heptanoate
CID 53245008
[2-(2-ethylbutanoyloxy)phenyl] octanoate
CID 90025587

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoacetyl)phenyl] nonanoate?
The IUPAC name of [2-(2-aminoacetyl)phenyl] nonanoate (CID 18971010) is [2-(2-aminoacetyl)phenyl] nonanoate.
What is the SMILES notation for [2-(2-aminoacetyl)phenyl] nonanoate?
The canonical SMILES for [2-(2-aminoacetyl)phenyl] nonanoate is CCCCCCCCC(=O)Oc1ccccc1C(=O)CN.
What is the InChIKey of [2-(2-aminoacetyl)phenyl] nonanoate?
The InChIKey is TVPWRFFLAQZXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-3-4-5-6-7-12-17(20)21-16-11-9-8-10-14(16)15(19)13-18/h8-11H,2-7,12-13,18H2,1H3.
What are the key properties of [2-(2-aminoacetyl)phenyl] nonanoate?
[2-(2-aminoacetyl)phenyl] nonanoate has a molecular weight of 291.39 g/mol, XLogP of 3.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoacetyl)phenyl] nonanoate is sourced from PubChem (CID 18971010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).