3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide

C22H26N2O2 — CID 44578254

IUPAC3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-14(2)24-22(26)19-7-4-15(3)20(12-19)17-8-10-18(11-9-17)21(25)23-13-16-5-6-16/h4,7-12,14,16H,5-6,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHWUIKJWOZNTZQM-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.94
Rot. Bonds6

About 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide

3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide (PubChem CID 44578254) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide
PubChem CID44578254
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-14(2)24-22(26)19-7-4-15(3)20(12-19)17-8-10-18(11-9-17)21(25)23-13-16-5-6-16/h4,7-12,14,16H,5-6,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHWUIKJWOZNTZQM-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide (CID 44578254) is 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)NC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is HWUIKJWOZNTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-14(2)24-22(26)19-7-4-15(3)20(12-19)17-8-10-18(11-9-17)21(25)23-13-16-5-6-16/h4,7-12,14,16H,5-6,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide?
3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 350.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 44578254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).