N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide

C24H32N4O2 — CID 138994834

IUPACN-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc(CNC(=O)N2CC(C)(C)C2c2ccccc2)c1
InChIInChI=1S/C24H32N4O2/c1-24(2)17-28(21(24)19-10-6-5-7-11-19)23(30)26-16-18-9-8-12-20(15-18)22(29)25-13-14-27(3)4/h5-12,15,21H,13-14,16-17H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyYQKCUWLBUYZCQQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.27
Rot. Bonds7

About N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide

N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide (PubChem CID 138994834) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
PubChem CID138994834
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc(CNC(=O)N2CC(C)(C)C2c2ccccc2)c1
InChIInChI=1S/C24H32N4O2/c1-24(2)17-28(21(24)19-10-6-5-7-11-19)23(30)26-16-18-9-8-12-20(15-18)22(29)25-13-14-27(3)4/h5-12,15,21H,13-14,16-17H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyYQKCUWLBUYZCQQ-UHFFFAOYSA-N
XLogP3.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119041522
N-[2-(dimethylamino)ethyl]-3-[[(N'-methylcarbamimidoyl)amino]methyl]benzamide
CID 110935106
3-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;hydroiodide
CID 110950795
N-[2-(dimethylamino)ethyl]-3-[[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111153414
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;dihydrochloride
CID 119867722
N-[2-(dimethylamino)ethyl]-3-[[(3-propan-2-yloxyphenyl)methylcarbamoylamino]methyl]benzamide
CID 86884508
3-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 111867822
3-[[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide;hydroiodide
CID 111867821
N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
3-[[(4-cyanophenyl)methylamino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 119110720
N-[2-(dimethylamino)ethyl]-3-[[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109490951
3-[benzyl(methyl)amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 110355481

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide (CID 138994834) is N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide is CN(C)CCNC(=O)c1cccc(CNC(=O)N2CC(C)(C)C2c2ccccc2)c1.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
The InChIKey is YQKCUWLBUYZCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-24(2)17-28(21(24)19-10-6-5-7-11-19)23(30)26-16-18-9-8-12-20(15-18)22(29)25-13-14-27(3)4/h5-12,15,21H,13-14,16-17H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide?
N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-3,3-dimethyl-2-phenylazetidine-1-carboxamide is sourced from PubChem (CID 138994834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).