3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

C21H25N2O5- — CID 4139595

IUPAC3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCC1=C(C)CC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C(C(=O)[O-])C1
InChIInChI=1S/C21H26N2O5/c1-13-11-17(18(21(26)27)12-14(13)2)19(24)22-16-5-3-15(4-6-16)20(25)23-7-9-28-10-8-23/h3-6,17-18H,7-12H2,1-2H3,(H,22,24)(H,26,27)/p-1
InChIKeyIADYTLQDIZSGQB-UHFFFAOYSA-M
MW385.44 g/mol
LogP1.21
Rot. Bonds4

About 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate (PubChem CID 4139595) has the molecular formula C21H25N2O5- and a molecular weight of 385.44 g/mol. Its IUPAC name is 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
PubChem CID4139595
Molecular FormulaC21H25N2O5-
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
SMILESCC1=C(C)CC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C(C(=O)[O-])C1
InChIInChI=1S/C21H26N2O5/c1-13-11-17(18(21(26)27)12-14(13)2)19(24)22-16-5-3-15(4-6-16)20(25)23-7-9-28-10-8-23/h3-6,17-18H,7-12H2,1-2H3,(H,22,24)(H,26,27)/p-1
InChIKeyIADYTLQDIZSGQB-UHFFFAOYSA-M
XLogP1.21
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6970208
(1S,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7452806
trans-(1S,2S)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1080146
(1S,6S)-6-[(4-ethoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7371135
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
(1S,6R)-6-[(4-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7438847
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
5-[4-(morpholine-4-carbonyl)anilino]-5-oxopentanoate
CID 6953068
(1R,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7409849
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712395
N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The IUPAC name of 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate (CID 4139595) is 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The canonical SMILES for 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate is CC1=C(C)CC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C(C(=O)[O-])C1.
What is the InChIKey of 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
The InChIKey is IADYTLQDIZSGQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H26N2O5/c1-13-11-17(18(21(26)27)12-14(13)2)19(24)22-16-5-3-15(4-6-16)20(25)23-7-9-28-10-8-23/h3-6,17-18H,7-12H2,1-2H3,(H,22,24)(H,26,27)/p-1.
What are the key properties of 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate?
3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 4139595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).