4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide

C19H22N2O2 — CID 4787701

IUPAC4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-9-11-17(12-10-15)19(23)21-14-18(22)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyVTPMUGJVLIOEFC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.47
Rot. Bonds7

About 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide

4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide (PubChem CID 4787701) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
PubChem CID4787701
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-9-11-17(12-10-15)19(23)21-14-18(22)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyVTPMUGJVLIOEFC-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide (CID 4787701) is 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
The InChIKey is VTPMUGJVLIOEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-9-11-17(12-10-15)19(23)21-14-18(22)20-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide?
4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide is sourced from PubChem (CID 4787701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).