N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide

C20H23N3O3 — CID 167870217

IUPACN-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide
SMILESCc1ccc(O)cc1C(=O)Nc1cccc(NC(=O)C2(N(C)C)CC2)c1
InChIInChI=1S/C20H23N3O3/c1-13-7-8-16(24)12-17(13)18(25)21-14-5-4-6-15(11-14)22-19(26)20(9-10-20)23(2)3/h4-8,11-12,24H,9-10H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyUFOQPLMSHPYLKA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.99
Rot. Bonds5

About N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide

N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide (PubChem CID 167870217) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide
PubChem CID167870217
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide
SMILESCc1ccc(O)cc1C(=O)Nc1cccc(NC(=O)C2(N(C)C)CC2)c1
InChIInChI=1S/C20H23N3O3/c1-13-7-8-16(24)12-17(13)18(25)21-14-5-4-6-15(11-14)22-19(26)20(9-10-20)23(2)3/h4-8,11-12,24H,9-10H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyUFOQPLMSHPYLKA-UHFFFAOYSA-N
XLogP2.99
TPSA81.67 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 ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
5-bromo-N-[3-(dimethylamino)phenyl]-2-methylbenzamide
CID 115377789
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylbenzamide
CID 39991684
2-chloro-N-(3-fluoro-4-methylphenyl)-5-hydroxybenzamide
CID 106501312
5-bromo-N-(3-iodophenyl)-2-methylbenzamide
CID 65308257
5-bromo-N-(3-fluorophenyl)-2-methylbenzamide
CID 65306774
5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
3-[(5-bromo-2-methylbenzoyl)amino]benzoic acid
CID 65306133
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide?
The IUPAC name of N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide (CID 167870217) is N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide is Cc1ccc(O)cc1C(=O)Nc1cccc(NC(=O)C2(N(C)C)CC2)c1.
What is the InChIKey of N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide?
The InChIKey is UFOQPLMSHPYLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-7-8-16(24)12-17(13)18(25)21-14-5-4-6-15(11-14)22-19(26)20(9-10-20)23(2)3/h4-8,11-12,24H,9-10H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide?
N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide has a molecular weight of 353.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(dimethylamino)cyclopropanecarbonyl]amino]phenyl]-5-hydroxy-2-methylbenzamide is sourced from PubChem (CID 167870217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).