3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide

C21H23N3O3 — CID 51111712

IUPAC3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)23-18-10-16(11-19(12-18)24-15(2)26)20(27)22-13-21(8-9-21)17-6-4-3-5-7-17/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyQWKDQOGEZOCJOM-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.07
Rot. Bonds6

About 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide

3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 51111712) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID51111712
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC2(c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-14(25)23-18-10-16(11-19(12-18)24-15(2)26)20(27)22-13-21(8-9-21)17-6-4-3-5-7-17/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyQWKDQOGEZOCJOM-UHFFFAOYSA-N
XLogP3.07
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]benzamide
CID 110439910
3-(2,2-dimethylpropanoylamino)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46532894
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
3,4,5-triethoxy-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145585
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
4-bromo-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 30389994

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 51111712) is 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC2(c3ccccc3)CC2)c1.
What is the InChIKey of 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is QWKDQOGEZOCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(25)23-18-10-16(11-19(12-18)24-15(2)26)20(27)22-13-21(8-9-21)17-6-4-3-5-7-17/h3-7,10-12H,8-9,13H2,1-2H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide?
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 51111712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).