N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide

C26H25N3O3 — CID 55573209

IUPACN-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C26H25N3O3/c30-24(27-21-12-7-13-22(16-21)28-25(31)20-14-15-20)17-23(18-8-3-1-4-9-18)29-26(32)19-10-5-2-6-11-19/h1-13,16,20,23H,14-15,17H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyIQNKNZVBZMKREJ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.53
Rot. Bonds8

About N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55573209) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55573209
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C26H25N3O3/c30-24(27-21-12-7-13-22(16-21)28-25(31)20-14-15-20)17-23(18-8-3-1-4-9-18)29-26(32)19-10-5-2-6-11-19/h1-13,16,20,23H,14-15,17H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyIQNKNZVBZMKREJ-UHFFFAOYSA-N
XLogP4.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 24566967
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[3-[4-(carbamoylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55527938
4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide
CID 97081272
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 17482899
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[3-(3-aminobutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119710490
N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55518864

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide (CID 55573209) is N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is IQNKNZVBZMKREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-24(27-21-12-7-13-22(16-21)28-25(31)20-14-15-20)17-23(18-8-3-1-4-9-18)29-26(32)19-10-5-2-6-11-19/h1-13,16,20,23H,14-15,17H2,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55573209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).