5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide

C26H28N4O — CID 156907304

IUPAC5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H28N4O/c1-16-11-12-18(30(3)19-14-27-15-19)13-22(16)26(31)28-17(2)20-8-6-10-24-25(20)21-7-4-5-9-23(21)29-24/h4-13,17,19,27,29H,14-15H2,1-3H3,(H,28,31)/t17-/m1/s1
InChIKeyMXWVYIZHQWESIF-QGZVFWFLSA-N
MW412.54 g/mol
LogP4.53
Rot. Bonds5

About 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide

5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide (PubChem CID 156907304) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide
PubChem CID156907304
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide
SMILESCc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C26H28N4O/c1-16-11-12-18(30(3)19-14-27-15-19)13-22(16)26(31)28-17(2)20-8-6-10-24-25(20)21-7-4-5-9-23(21)29-24/h4-13,17,19,27,29H,14-15H2,1-3H3,(H,28,31)/t17-/m1/s1
InChIKeyMXWVYIZHQWESIF-QGZVFWFLSA-N
XLogP4.53
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[azetidin-3-yl(methyl)amino]-2-methyl-N-(1-naphthalen-1-yl-2-oxobutyl)benzamide
CID 171990634
3-[3-[[(1R)-1-(1H-indol-4-yl)ethyl]carbamoyl]-N,4-dimethylanilino]azetidine-1-carboxylic acid
CID 174234532
2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]-N-[(1R)-1-naphthalen-1-ylethyl]benzamide;molecular hydrogen
CID 178174404
5-(azetidin-3-yloxy)-N-[(1R)-1-(1H-indol-4-yl)ethyl]-2-methylbenzamide
CID 164866132
N-[(1R)-1-(5,6-didehydronaphthalen-1-yl)ethyl]-2-methyl-5-[methyl-(3-methylidenecyclopentyl)amino]benzamide;molecular hydrogen
CID 178174544
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(pyrrolidin-3-ylmethylamino)benzamide
CID 163231588
5-[hept-1-en-4-yl(methyl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 178174489
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
5-(azetidin-3-yloxy)-N-[(1R)-1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
CID 164866246
5-(azetidin-3-yloxy)-N-[1-[2-(azetidin-3-yloxy)naphthalen-1-yl]ethyl]-2-methylbenzamide
CID 174238104
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511

Frequently Asked Questions

What is the IUPAC name of 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide (CID 156907304) is 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide is Cc1ccc(N(C)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide?
The InChIKey is MXWVYIZHQWESIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H28N4O/c1-16-11-12-18(30(3)19-14-27-15-19)13-22(16)26(31)28-17(2)20-8-6-10-24-25(20)21-7-4-5-9-23(21)29-24/h4-13,17,19,27,29H,14-15H2,1-3H3,(H,28,31)/t17-/m1/s1.
What are the key properties of 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide?
5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide has a molecular weight of 412.54 g/mol, XLogP of 4.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[azetidin-3-yl(methyl)amino]-N-[(1R)-1-(9H-carbazol-4-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 156907304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).