pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate

C23H29NO5 — CID 7695459

IUPACpentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCCCOC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C23H29NO5/c1-4-6-9-16-28-23(26)17(3)29-19-14-12-18(13-15-19)22(25)24-20-10-7-8-11-21(20)27-5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,24,25)/t17-/m0/s1
InChIKeyCZHAEYUMWQXUDU-KRWDZBQOSA-N
MW399.49 g/mol
LogP4.84
Rot. Bonds11

About pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate

pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 7695459) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Namepentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
PubChem CID7695459
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Namepentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
SMILESCCCCCOC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2OCC)cc1
InChIInChI=1S/C23H29NO5/c1-4-6-9-16-28-23(26)17(3)29-19-14-12-18(13-15-19)22(25)24-20-10-7-8-11-21(20)27-5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,24,25)/t17-/m0/s1
InChIKeyCZHAEYUMWQXUDU-KRWDZBQOSA-N
XLogP4.84
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
benzyl 2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 3410170
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-(2-ethoxyphenyl)-4-[1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 156704842
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954
[2-(2-ethoxyanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 8791422

Frequently Asked Questions

What is the IUPAC name of pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate (CID 7695459) is pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate is CCCCCOC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccccc2OCC)cc1.
What is the InChIKey of pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is CZHAEYUMWQXUDU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29NO5/c1-4-6-9-16-28-23(26)17(3)29-19-14-12-18(13-15-19)22(25)24-20-10-7-8-11-21(20)27-5-2/h7-8,10-15,17H,4-6,9,16H2,1-3H3,(H,24,25)/t17-/m0/s1.
What are the key properties of pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate?
pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 399.49 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 7695459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).