3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide

C20H23N3O3 — CID 119779656

IUPAC3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)c1
InChIInChI=1S/C20H23N3O3/c21-15-5-1-4-14(11-15)20(25)23-16-7-9-17(10-8-16)26-18-6-2-3-13(12-18)19(22)24/h2-3,6-10,12,14-15H,1,4-5,11,21H2,(H2,22,24)(H,23,25)
InChIKeyODFBJTKWZZBWIP-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.03
Rot. Bonds5

About 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide

3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide (PubChem CID 119779656) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide.

Molecular Properties

Compound Name3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
PubChem CID119779656
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)c1
InChIInChI=1S/C20H23N3O3/c21-15-5-1-4-14(11-15)20(25)23-16-7-9-17(10-8-16)26-18-6-2-3-13(12-18)19(22)24/h2-3,6-10,12,14-15H,1,4-5,11,21H2,(H2,22,24)(H,23,25)
InChIKeyODFBJTKWZZBWIP-UHFFFAOYSA-N
XLogP3.03
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
3-[4-(carbamoylamino)phenoxy]benzamide
CID 142646919
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 166364664
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
CID 119884838
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
CID 119779626
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide?
The IUPAC name of 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide (CID 119779656) is 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide.
What is the SMILES notation for 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide?
The canonical SMILES for 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide is NC(=O)c1cccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)c1.
What is the InChIKey of 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide?
The InChIKey is ODFBJTKWZZBWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-15-5-1-4-14(11-15)20(25)23-16-7-9-17(10-8-16)26-18-6-2-3-13(12-18)19(22)24/h2-3,6-10,12,14-15H,1,4-5,11,21H2,(H2,22,24)(H,23,25).
What are the key properties of 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide?
3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide has a molecular weight of 353.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]benzamide is sourced from PubChem (CID 119779656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).