N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide

C27H33N3O2 — CID 78852655

IUPACN,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C27H33N3O2/c1-20-18-25(22(3)30(20)21(2)23-10-6-5-7-11-23)27(31)28(4)19-24-12-8-9-13-26(24)29-14-16-32-17-15-29/h5-13,18,21H,14-17,19H2,1-4H3
InChIKeyCEGWESNSSJZTME-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.82
Rot. Bonds6

About N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide

N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 78852655) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID78852655
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C27H33N3O2/c1-20-18-25(22(3)30(20)21(2)23-10-6-5-7-11-23)27(31)28(4)19-24-12-8-9-13-26(24)29-14-16-32-17-15-29/h5-13,18,21H,14-17,19H2,1-4H3
InChIKeyCEGWESNSSJZTME-UHFFFAOYSA-N
XLogP4.82
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 112819737
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55788714
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N-methyl-4-(methylsulfanylmethyl)-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645758
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
CID 119836461
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide (CID 78852655) is N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(C)n1C(C)c1ccccc1.
What is the InChIKey of N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is CEGWESNSSJZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-20-18-25(22(3)30(20)21(2)23-10-6-5-7-11-23)27(31)28(4)19-24-12-8-9-13-26(24)29-14-16-32-17-15-29/h5-13,18,21H,14-17,19H2,1-4H3.
What are the key properties of N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide?
N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78852655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).