1-(3-morpholin-4-ylphenyl)ethylcarbamic acid

C13H18N2O3 — CID 22605465

IUPAC1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-10(14-13(16)17)11-3-2-4-12(9-11)15-5-7-18-8-6-15/h2-4,9-10,14H,5-8H2,1H3,(H,16,17)
InChIKeyPKOTYSOBLWLSFK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds3

About 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid

1-(3-morpholin-4-ylphenyl)ethylcarbamic acid (PubChem CID 22605465) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
PubChem CID22605465
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c1-10(14-13(16)17)11-3-2-4-12(9-11)15-5-7-18-8-6-15/h2-4,9-10,14H,5-8H2,1H3,(H,16,17)
InChIKeyPKOTYSOBLWLSFK-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2-methylphenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744351
(E)-3-(3-fluorophenyl)-N-[1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 20744300
3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
CID 117379221
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 11233922
3-(2-chloro-4-fluorophenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 91224360
N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
CID 175743962
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
1-N-methyl-3-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166234095
1-methoxy-N-[1-(3-morpholin-4-ylphenyl)ethyl]piperidin-4-amine
CID 126819018

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid?
The IUPAC name of 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid (CID 22605465) is 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid.
What is the SMILES notation for 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid?
The canonical SMILES for 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid is CC(NC(=O)O)c1cccc(N2CCOCC2)c1.
What is the InChIKey of 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid?
The InChIKey is PKOTYSOBLWLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10(14-13(16)17)11-3-2-4-12(9-11)15-5-7-18-8-6-15/h2-4,9-10,14H,5-8H2,1H3,(H,16,17).
What are the key properties of 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid?
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid has a molecular weight of 250.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylphenyl)ethylcarbamic acid is sourced from PubChem (CID 22605465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).