N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide

C24H30N2O3 — CID 175025885

IUPACN-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
SMILESCC(C)c1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C(C)C
InChIInChI=1S/C24H30N2O3/c1-16(2)20-6-5-7-21(22(20)17(3)4)23(27)25-19-10-8-18(9-11-19)24(28)26-12-14-29-15-13-26/h5-11,16-17H,12-15H2,1-4H3,(H,25,27)
InChIKeyIOUFBEGLWRTVIG-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.66
Rot. Bonds5

About N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide

N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide (PubChem CID 175025885) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
PubChem CID175025885
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
SMILESCC(C)c1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C(C)C
InChIInChI=1S/C24H30N2O3/c1-16(2)20-6-5-7-21(22(20)17(3)4)23(27)25-19-10-8-18(9-11-19)24(28)26-12-14-29-15-13-26/h5-11,16-17H,12-15H2,1-4H3,(H,25,27)
InChIKeyIOUFBEGLWRTVIG-UHFFFAOYSA-N
XLogP4.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]pyridine-3-carboxamide
CID 155647773
N-[[4-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17195062
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
CID 2971227
N-[2,6-di(propan-2-yl)phenyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103857
3-methyl-N-[4-(morpholine-4-carbonyl)phenyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112835639
N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 653867
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
2-(2-acetamidophenyl)-N-[4-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
CID 4993979
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
2-(2,6-dimethylanilino)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 54818171

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide?
The IUPAC name of N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide (CID 175025885) is N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide.
What is the SMILES notation for N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide?
The canonical SMILES for N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide is CC(C)c1cccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1C(C)C.
What is the InChIKey of N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide?
The InChIKey is IOUFBEGLWRTVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)20-6-5-7-21(22(20)17(3)4)23(27)25-19-10-8-18(9-11-19)24(28)26-12-14-29-15-13-26/h5-11,16-17H,12-15H2,1-4H3,(H,25,27).
What are the key properties of N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide?
N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide is sourced from PubChem (CID 175025885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).