N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide

C26H26N2O2 — CID 29303854

IUPACN-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C26H26N2O2/c29-25(17-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21)27-18-19-8-7-13-23(16-19)28-26(30)22-14-15-22/h1-13,16,22,24H,14-15,17-18H2,(H,27,29)(H,28,30)
InChIKeyXRDHFDBUQYHTKV-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.87
Rot. Bonds8

About N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide

N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide (PubChem CID 29303854) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
PubChem CID29303854
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C26H26N2O2/c29-25(17-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21)27-18-19-8-7-13-23(16-19)28-26(30)22-14-15-22/h1-13,16,22,24H,14-15,17-18H2,(H,27,29)(H,28,30)
InChIKeyXRDHFDBUQYHTKV-UHFFFAOYSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 24566967
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
3,3-diphenyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]propanamide
CID 52719151
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide (CID 29303854) is N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide is O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is XRDHFDBUQYHTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(17-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21)27-18-19-8-7-13-23(16-19)28-26(30)22-14-15-22/h1-13,16,22,24H,14-15,17-18H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 29303854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).