methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate

C24H30N2O4 — CID 70868401

IUPACmethyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
SMILESCOC(=O)C(C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-17(2)22(24(28)29-3)23(27)25-21-10-8-20(9-11-21)19-6-4-18(5-7-19)16-26-12-14-30-15-13-26/h4-11,17,22H,12-16H2,1-3H3,(H,25,27)
InChIKeyHDIRQVNFXYCLJZ-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.57
Rot. Bonds7

About methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate

methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate (PubChem CID 70868401) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
PubChem CID70868401
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
SMILESCOC(=O)C(C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C(C)C
InChIInChI=1S/C24H30N2O4/c1-17(2)22(24(28)29-3)23(27)25-21-10-8-20(9-11-21)19-6-4-18(5-7-19)16-26-12-14-30-15-13-26/h4-11,17,22H,12-16H2,1-3H3,(H,25,27)
InChIKeyHDIRQVNFXYCLJZ-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
2-methyl-N-[3-methyl-1-[4-(morpholin-4-ylmethyl)anilino]-1-oxobutan-2-yl]benzamide
CID 78802635
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
3-methyl-2-[[4-(morpholin-4-ylmethyl)phenyl]carbamoylamino]pentanoic acid
CID 4870797
(2R)-N-(2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]propanamide
CID 25355403
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate?
The IUPAC name of methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate (CID 70868401) is methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate is COC(=O)C(C(=O)Nc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate?
The InChIKey is HDIRQVNFXYCLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-17(2)22(24(28)29-3)23(27)25-21-10-8-20(9-11-21)19-6-4-18(5-7-19)16-26-12-14-30-15-13-26/h4-11,17,22H,12-16H2,1-3H3,(H,25,27).
What are the key properties of methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate?
methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate has a molecular weight of 410.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate is sourced from PubChem (CID 70868401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).