N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide

C21H24N2O3 — CID 44578533

IUPACN-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C21H24N2O3/c1-14-3-4-17(21(26)23-18-9-10-18)13-19(14)15-5-7-16(8-6-15)20(25)22-11-2-12-24/h3-8,13,18,24H,2,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyXWHZWBCHFWPAMW-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.67
Rot. Bonds7

About N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide

N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide (PubChem CID 44578533) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide
PubChem CID44578533
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCO)cc1
InChIInChI=1S/C21H24N2O3/c1-14-3-4-17(21(26)23-18-9-10-18)13-19(14)15-5-7-16(8-6-15)20(25)22-11-2-12-24/h3-8,13,18,24H,2,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyXWHZWBCHFWPAMW-UHFFFAOYSA-N
XLogP2.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide (CID 44578533) is N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCO)cc1.
What is the InChIKey of N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide?
The InChIKey is XWHZWBCHFWPAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-3-4-17(21(26)23-18-9-10-18)13-19(14)15-5-7-16(8-6-15)20(25)22-11-2-12-24/h3-8,13,18,24H,2,9-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide?
N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 44578533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).