N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide

C13H18N2O3 — CID 168654163

IUPACN-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
SMILESO=CNc1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c16-10-14-12-3-1-11(2-4-12)13(17)9-15-5-7-18-8-6-15/h1-4,10,13,17H,5-9H2,(H,14,16)
InChIKeyFGBGPWWNMKEGQE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds5

About N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide

N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide (PubChem CID 168654163) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
PubChem CID168654163
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide
SMILESO=CNc1ccc(C(O)CN2CCOCC2)cc1
InChIInChI=1S/C13H18N2O3/c16-10-14-12-3-1-11(2-4-12)13(17)9-15-5-7-18-8-6-15/h1-4,10,13,17H,5-9H2,(H,14,16)
InChIKeyFGBGPWWNMKEGQE-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]thiourea
CID 169357188
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
4-(1-hydroxy-2-morpholin-4-ylethyl)benzonitrile
CID 43288546
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(1R)-1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 1229946
1-(4-cyclopentylphenyl)-2-morpholin-4-ylethanol
CID 3070078
N-methyl-2-morpholin-4-ylethanamine;N-(4-methylphenyl)formamide
CID 143489582
(Z)-but-2-enedioic acid;1-(4-methylsulfonylphenyl)-2-morpholin-4-ylethanol
CID 20840402
3-[4-[4-[(1S)-1-hydroxy-2-morpholin-4-ylethyl]phenyl]phenyl]propanoic acid
CID 125445930
5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
CID 12556410
1-[4-(5-methylfuran-2-yl)phenyl]-2-morpholin-4-ylethanol
CID 45250649

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide?
The IUPAC name of N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide (CID 168654163) is N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide.
What is the SMILES notation for N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide?
The canonical SMILES for N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide is O=CNc1ccc(C(O)CN2CCOCC2)cc1.
What is the InChIKey of N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide?
The InChIKey is FGBGPWWNMKEGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-10-14-12-3-1-11(2-4-12)13(17)9-15-5-7-18-8-6-15/h1-4,10,13,17H,5-9H2,(H,14,16).
What are the key properties of N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide?
N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide has a molecular weight of 250.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-2-morpholin-4-ylethyl)phenyl]formamide is sourced from PubChem (CID 168654163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).