4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide

C19H23N3O2 — CID 38175728

IUPAC4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-5-7-15(8-6-14)18(23)21-16-9-11-17(12-10-16)22-19(24)20-13(2)3/h5-13H,4H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeySVPVKJKRGZTBIC-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.03
Rot. Bonds5

About 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide

4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide (PubChem CID 38175728) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
PubChem CID38175728
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
SMILESCCc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-4-14-5-7-15(8-6-14)18(23)21-16-9-11-17(12-10-16)22-19(24)20-13(2)3/h5-13H,4H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeySVPVKJKRGZTBIC-UHFFFAOYSA-N
XLogP4.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55870064
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
4-ethyl-N-[4-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 93040826
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-ethylphenyl)benzamide
CID 774063
4-(cyclopropanecarbonylamino)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166430
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9270671
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide (CID 38175728) is 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide is CCc1ccc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
The InChIKey is SVPVKJKRGZTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-14-5-7-15(8-6-14)18(23)21-16-9-11-17(12-10-16)22-19(24)20-13(2)3/h5-13H,4H2,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide?
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 38175728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).