5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

C23H25N3O — CID 156907132

IUPAC5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C23H25N3O/c1-15-10-11-18(26-19-13-24-14-19)12-22(15)23(27)25-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,19,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyXCUCLKWBHWYCEZ-MRXNPFEDSA-N
MW359.47 g/mol
LogP4.02
Rot. Bonds5

About 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 156907132) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID156907132
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C23H25N3O/c1-15-10-11-18(26-19-13-24-14-19)12-22(15)23(27)25-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,19,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1
InChIKeyXCUCLKWBHWYCEZ-MRXNPFEDSA-N
XLogP4.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1080352
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
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1-(3-ethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
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CID 5329895

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 156907132) is 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(NC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is XCUCLKWBHWYCEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-10-11-18(26-19-13-24-14-19)12-22(15)23(27)25-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,19,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1.
What are the key properties of 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 156907132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).