methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid

C16H30N2O3 — CID 22567619

IUPACmethyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CCCCN2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-17(16(19)20)15-7-5-14(6-8-15)4-2-3-9-18-10-12-21-13-11-18/h14-15H,2-13H2,1H3,(H,19,20)
InChIKeyNGUBKIPAVCBNAJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.66
Rot. Bonds6

About methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid

methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid (PubChem CID 22567619) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid
PubChem CID22567619
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Namemethyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CCCCN2CCOCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-17(16(19)20)15-7-5-14(6-8-15)4-2-3-9-18-10-12-21-13-11-18/h14-15H,2-13H2,1H3,(H,19,20)
InChIKeyNGUBKIPAVCBNAJ-UHFFFAOYSA-N
XLogP2.66
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]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

Related Compounds

4-[3-(4-methylcyclohexyl)propyl]morpholine
CID 13157729
4-butyl-1-(2-morpholin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 79422456
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722
2,2-dimethyl-5-morpholin-4-ylpentanoic acid
CID 65254938
2,2-dimethyl-6-morpholin-4-ylhexanoic acid
CID 106713869
1-[4-(oxan-4-yl)butyl]piperazine
CID 116928640
2-[cyclopropyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 60834823
N-(3-morpholin-4-ylpropyl)-4-propylcyclohexan-1-amine
CID 28672998
[1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid
CID 67028047
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propanamide
CID 90607283
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate
CID 56800818

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid?
The IUPAC name of methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid (CID 22567619) is methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid.
What is the SMILES notation for methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid?
The canonical SMILES for methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid is CN(C(=O)O)C1CCC(CCCCN2CCOCC2)CC1.
What is the InChIKey of methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid?
The InChIKey is NGUBKIPAVCBNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-17(16(19)20)15-7-5-14(6-8-15)4-2-3-9-18-10-12-21-13-11-18/h14-15H,2-13H2,1H3,(H,19,20).
What are the key properties of methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid?
methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid has a molecular weight of 298.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 22567619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).