2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide

C18H28N2O3 — CID 71924014

IUPAC2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)N2CCOC(CO)C2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)16-7-5-15(6-8-16)4-3-9-19-18(22)20-10-11-23-17(12-20)13-21/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyRUNQCTXLJQLUAK-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.15
Rot. Bonds6

About 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide

2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide (PubChem CID 71924014) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
PubChem CID71924014
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
SMILESCC(C)c1ccc(CCCNC(=O)N2CCOC(CO)C2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)16-7-5-15(6-8-16)4-3-9-19-18(22)20-10-11-23-17(12-20)13-21/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyRUNQCTXLJQLUAK-UHFFFAOYSA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96526050
(3S,4S)-1-[3-(4-propan-2-ylphenyl)propylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122002631
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 94823939
2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 167933775
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137028643
(3R)-3-(6-oxo-1H-pyrimidin-4-yl)-N-[3-(4-propan-2-ylphenyl)propyl]piperidine-1-carboxamide
CID 137043793
2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide
CID 126841057
(2S)-2-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 119322585

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide (CID 71924014) is 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide is CC(C)c1ccc(CCCNC(=O)N2CCOC(CO)C2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide?
The InChIKey is RUNQCTXLJQLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)16-7-5-15(6-8-16)4-3-9-19-18(22)20-10-11-23-17(12-20)13-21/h5-8,14,17,21H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide?
2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 71924014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).