N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C24H27N3O3 — CID 8884375

IUPACN-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-15(2)27-16(3)14-22(17(27)4)24(29)26-19-8-6-18(7-9-19)23(28)25-20-10-12-21(30-5)13-11-20/h6-15H,1-5H3,(H,25,28)(H,26,29)
InChIKeyIVEGBDCVGHNZRZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.20
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 8884375) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID8884375
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-15(2)27-16(3)14-22(17(27)4)24(29)26-19-8-6-18(7-9-19)23(28)25-20-10-12-21(30-5)13-11-20/h6-15H,1-5H3,(H,25,28)(H,26,29)
InChIKeyIVEGBDCVGHNZRZ-UHFFFAOYSA-N
XLogP5.20
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9476103
4-methoxy-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507626
2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 8534104
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8873197
2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235594
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112794545

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 8884375) is N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is IVEGBDCVGHNZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15(2)27-16(3)14-22(17(27)4)24(29)26-19-8-6-18(7-9-19)23(28)25-20-10-12-21(30-5)13-11-20/h6-15H,1-5H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 8884375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).