[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid

C17H25N3O6 — CID 121255435

IUPAC[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
SMILESCOc1cc(NC(=O)O)cc(OC)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H25N3O6/c1-24-13-10-12(19-17(22)23)11-14(25-2)15(13)16(21)18-4-3-5-20-6-8-26-9-7-20/h10-11,19H,3-9H2,1-2H3,(H,18,21)(H,22,23)
InChIKeySTRATTCRSSNCNS-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.25
Rot. Bonds8

About [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid

[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid (PubChem CID 121255435) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
PubChem CID121255435
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid
SMILESCOc1cc(NC(=O)O)cc(OC)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H25N3O6/c1-24-13-10-12(19-17(22)23)11-14(25-2)15(13)16(21)18-4-3-5-20-6-8-26-9-7-20/h10-11,19H,3-9H2,1-2H3,(H,18,21)(H,22,23)
InChIKeySTRATTCRSSNCNS-UHFFFAOYSA-N
XLogP1.25
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid?
The IUPAC name of [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid (CID 121255435) is [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid.
What is the SMILES notation for [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid?
The canonical SMILES for [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid is COc1cc(NC(=O)O)cc(OC)c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid?
The InChIKey is STRATTCRSSNCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-24-13-10-12(19-17(22)23)11-14(25-2)15(13)16(21)18-4-3-5-20-6-8-26-9-7-20/h10-11,19H,3-9H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid?
[3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid has a molecular weight of 367.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethoxy-4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]carbamic acid is sourced from PubChem (CID 121255435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).