2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid

C20H29N3O4 — CID 72863317

IUPAC2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(NC(=O)N2CCOCC2)cc1)N1CCCCCCC1
InChIInChI=1S/C20H29N3O4/c24-19(25)18(22-10-4-2-1-3-5-11-22)16-6-8-17(9-7-16)21-20(26)23-12-14-27-15-13-23/h6-9,18H,1-5,10-15H2,(H,21,26)(H,24,25)
InChIKeyDZPRWEOOONJLEG-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.94
Rot. Bonds4

About 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid

2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid (PubChem CID 72863317) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
PubChem CID72863317
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(NC(=O)N2CCOCC2)cc1)N1CCCCCCC1
InChIInChI=1S/C20H29N3O4/c24-19(25)18(22-10-4-2-1-3-5-11-22)16-6-8-17(9-7-16)21-20(26)23-12-14-27-15-13-23/h6-9,18H,1-5,10-15H2,(H,21,26)(H,24,25)
InChIKeyDZPRWEOOONJLEG-UHFFFAOYSA-N
XLogP2.94
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(methylamino)ethyl]phenyl]morpholine-4-carboxamide
CID 61341444
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
CID 17438630
N-(4-butan-2-ylphenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143459
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
(2R)-2-piperidin-1-yl-2-pyridin-4-ylacetic acid
CID 95359616
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
3-[4-(1,4-oxazepane-4-carbonylamino)phenyl]prop-2-enoic acid
CID 76979174

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid (CID 72863317) is 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid is O=C(O)C(c1ccc(NC(=O)N2CCOCC2)cc1)N1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
The InChIKey is DZPRWEOOONJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c24-19(25)18(22-10-4-2-1-3-5-11-22)16-6-8-17(9-7-16)21-20(26)23-12-14-27-15-13-23/h6-9,18H,1-5,10-15H2,(H,21,26)(H,24,25).
What are the key properties of 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid?
2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-2-[4-(morpholine-4-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 72863317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).