butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid

C18H28N2O3 — CID 139511865

IUPACbutyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid
SMILESCCCCN(C(=O)O)[C@H](C)c1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C18H28N2O3/c1-4-5-10-20(18(21)22)15(3)16-6-8-17(9-7-16)19-11-12-23-13-14(19)2/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,21,22)/t14?,15-/m1/s1
InChIKeyFCMVHJFPMNVUFM-YSSOQSIOSA-N
MW320.43 g/mol
LogP3.75
Rot. Bonds6

About butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid

butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid (PubChem CID 139511865) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Namebutyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid
PubChem CID139511865
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebutyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid
SMILESCCCCN(C(=O)O)[C@H](C)c1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C18H28N2O3/c1-4-5-10-20(18(21)22)15(3)16-6-8-17(9-7-16)19-11-12-23-13-14(19)2/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,21,22)/t14?,15-/m1/s1
InChIKeyFCMVHJFPMNVUFM-YSSOQSIOSA-N
XLogP3.75
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid?
The IUPAC name of butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid (CID 139511865) is butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid?
The canonical SMILES for butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid is CCCCN(C(=O)O)[C@H](C)c1ccc(N2CCOCC2C)cc1.
What is the InChIKey of butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid?
The InChIKey is FCMVHJFPMNVUFM-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-5-10-20(18(21)22)15(3)16-6-8-17(9-7-16)19-11-12-23-13-14(19)2/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,21,22)/t14?,15-/m1/s1.
What are the key properties of butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid?
butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid has a molecular weight of 320.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(1R)-1-[4-(3-methylmorpholin-4-yl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 139511865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).