cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide

C24H38N2O4 — CID 100715258

IUPACcis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)CCC[C@H](C)C1
InChIInChI=1S/C24H38N2O4/c1-3-15-30-24(11-4-6-20(2)19-24)23(27)25-21-7-9-22(10-8-21)29-16-5-12-26-13-17-28-18-14-26/h7-10,20H,3-6,11-19H2,1-2H3,(H,25,27)/t20-,24-/m0/s1
InChIKeyBIYGRPLNYPGHIR-RDPSFJRHSA-N
MW418.58 g/mol
LogP4.10
Rot. Bonds10

About cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide

cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide (PubChem CID 100715258) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide
PubChem CID100715258
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Namecis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)CCC[C@H](C)C1
InChIInChI=1S/C24H38N2O4/c1-3-15-30-24(11-4-6-20(2)19-24)23(27)25-21-7-9-22(10-8-21)29-16-5-12-26-13-17-28-18-14-26/h7-10,20H,3-6,11-19H2,1-2H3,(H,25,27)/t20-,24-/m0/s1
InChIKeyBIYGRPLNYPGHIR-RDPSFJRHSA-N
XLogP4.10
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3R)-1-ethoxy-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100732921
trans-(1S,3R)-N-[4-[3-(azepan-1-yl)propoxy]phenyl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100715354
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
cis-(1R,3R)-1-methoxy-3-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]cyclohexane-1-carboxamide
CID 100706654
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246824
4-methyl-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 133246433
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060712
trans-(1R,3S)-3-methyl-N-(4-phenylmethoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100714548
cis-(1S,3S)-1-ethoxy-N-(4-ethoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 100731776
N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100716765
trans-(1R,3S)-1-methoxy-3-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100706271

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide (CID 100715258) is cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide is CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)CCC[C@H](C)C1.
What is the InChIKey of cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide?
The InChIKey is BIYGRPLNYPGHIR-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-3-15-30-24(11-4-6-20(2)19-24)23(27)25-21-7-9-22(10-8-21)29-16-5-12-26-13-17-28-18-14-26/h7-10,20H,3-6,11-19H2,1-2H3,(H,25,27)/t20-,24-/m0/s1.
What are the key properties of cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide?
cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide has a molecular weight of 418.58 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100715258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).