1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide

C17H25N3O3 — CID 126839949

IUPAC1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)C1(Nc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c21-15(13-20-8-10-23-11-9-20)12-18-16(22)17(6-7-17)19-14-4-2-1-3-5-14/h1-5,15,19,21H,6-13H2,(H,18,22)
InChIKeyGYJLRNLISSZJRZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.44
Rot. Bonds7

About 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide

1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 126839949) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
PubChem CID126839949
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)C1(Nc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c21-15(13-20-8-10-23-11-9-20)12-18-16(22)17(6-7-17)19-14-4-2-1-3-5-14/h1-5,15,19,21H,6-13H2,(H,18,22)
InChIKeyGYJLRNLISSZJRZ-UHFFFAOYSA-N
XLogP0.44
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
(3S,4S)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-phenyloxane-3-carboxamide
CID 126819158
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
2-(2-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 110887213
4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
CID 126828439
2-(2,3-dimethylphenyl)-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetic acid
CID 166254157
1-(2-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60898557
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
CID 888968
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636

Frequently Asked Questions

What is the IUPAC name of 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide (CID 126839949) is 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide is O=C(NCC(O)CN1CCOCC1)C1(Nc2ccccc2)CC1.
What is the InChIKey of 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is GYJLRNLISSZJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-15(13-20-8-10-23-11-9-20)12-18-16(22)17(6-7-17)19-14-4-2-1-3-5-14/h1-5,15,19,21H,6-13H2,(H,18,22).
What are the key properties of 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide?
1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-N-(2-hydroxy-3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 126839949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).