3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide

C22H23N3O4 — CID 46603028

IUPAC3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H23N3O4/c26-20(23-17-4-1-3-15(11-17)22(28)24-16-9-10-16)13-29-19-6-2-5-18(12-19)25-21(27)14-7-8-14/h1-6,11-12,14,16H,7-10,13H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyPREYMKNATTYCPU-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.94
Rot. Bonds8

About 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide

3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 46603028) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
PubChem CID46603028
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C22H23N3O4/c26-20(23-17-4-1-3-15(11-17)22(28)24-16-9-10-16)13-29-19-6-2-5-18(12-19)25-21(27)14-7-8-14/h1-6,11-12,14,16H,7-10,13H2,(H,23,26)(H,24,28)(H,25,27)
InChIKeyPREYMKNATTYCPU-UHFFFAOYSA-N
XLogP2.94
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
N-cyclopropyl-3-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzamide
CID 24581450
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide (CID 46603028) is 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide is O=C(COc1cccc(NC(=O)C2CC2)c1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is PREYMKNATTYCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20(23-17-4-1-3-15(11-17)22(28)24-16-9-10-16)13-29-19-6-2-5-18(12-19)25-21(27)14-7-8-14/h1-6,11-12,14,16H,7-10,13H2,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide?
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 393.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 46603028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).