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

C21H29N3O2 — CID 78775472

IUPACN-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1
InChIInChI=1S/C21H29N3O2/c1-7-23(8-2)21(26)17-10-9-11-18(13-17)22-20(25)19-12-15(5)24(14(3)4)16(19)6/h9-14H,7-8H2,1-6H3,(H,22,25)
InChIKeyBKUILVUMTLAPEC-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.42
Rot. Bonds6

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

N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 78775472) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID78775472
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1
InChIInChI=1S/C21H29N3O2/c1-7-23(8-2)21(26)17-10-9-11-18(13-17)22-20(25)19-12-15(5)24(14(3)4)16(19)6/h9-14H,7-8H2,1-6H3,(H,22,25)
InChIKeyBKUILVUMTLAPEC-UHFFFAOYSA-N
XLogP4.42
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
3-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N,N-diethylbenzamide
CID 26070875
N-[3-(diethylcarbamoyl)phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 36835148
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38045945

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 78775472) is N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)n(C(C)C)c2C)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is BKUILVUMTLAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-7-23(8-2)21(26)17-10-9-11-18(13-17)22-20(25)19-12-15(5)24(14(3)4)16(19)6/h9-14H,7-8H2,1-6H3,(H,22,25).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 78775472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).