2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide

C23H29N3O3 — CID 126803901

IUPAC2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide
SMILESCN(C)Cc1ccccc1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(2)16-18-6-4-5-7-21(18)22(27)24-19-10-8-17(9-11-19)23(28)26(3)20-12-14-29-15-13-20/h4-11,20H,12-16H2,1-3H3,(H,24,27)
InChIKeyGQBIKBAROQRKSP-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.25
Rot. Bonds6

About 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide

2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide (PubChem CID 126803901) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide
PubChem CID126803901
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide
SMILESCN(C)Cc1ccccc1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-25(2)16-18-6-4-5-7-21(18)22(27)24-19-10-8-17(9-11-19)23(28)26(3)20-12-14-29-15-13-20/h4-11,20H,12-16H2,1-3H3,(H,24,27)
InChIKeyGQBIKBAROQRKSP-UHFFFAOYSA-N
XLogP3.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-methyl-N-(oxan-4-yl)benzamide
CID 55047025
N-methyl-2-[2-(methylamino)ethyl]-N-(oxan-4-yl)benzamide
CID 104547501
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
2-amino-N-[4-[methyl-(1-methylpiperidin-3-yl)carbamoyl]phenyl]benzamide;dihydrochloride
CID 119947295
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
CID 120624848
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-cyclohexyl-N-methylbenzamide
CID 119743435
N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 52713085
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
3-benzyl-1-methyl-1-(oxan-4-yl)urea
CID 103717227
N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
CID 56580229
2-chloro-N-[4-(dicyclohexylcarbamoyl)phenyl]benzamide
CID 2214995

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide (CID 126803901) is 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide is CN(C)Cc1ccccc1C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide?
The InChIKey is GQBIKBAROQRKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-25(2)16-18-6-4-5-7-21(18)22(27)24-19-10-8-17(9-11-19)23(28)26(3)20-12-14-29-15-13-20/h4-11,20H,12-16H2,1-3H3,(H,24,27).
What are the key properties of 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide?
2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[4-[methyl(oxan-4-yl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126803901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).