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

C24H27N3O — CID 156907198

IUPAC5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(CNC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-16-10-11-18(13-26-20-14-25-15-20)12-23(16)24(28)27-17(2)21-9-5-7-19-6-3-4-8-22(19)21/h3-12,17,20,25-26H,13-15H2,1-2H3,(H,27,28)/t17-/m1/s1
InChIKeyIHHMNIWBDCUKOM-QGZVFWFLSA-N
MW373.50 g/mol
LogP3.70
Rot. Bonds6

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

5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (PubChem CID 156907198) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.

Molecular Properties

Compound Name5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
PubChem CID156907198
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
SMILESCc1ccc(CNC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H27N3O/c1-16-10-11-18(13-26-20-14-25-15-20)12-23(16)24(28)27-17(2)21-9-5-7-19-6-3-4-8-22(19)21/h3-12,17,20,25-26H,13-15H2,1-2H3,(H,27,28)/t17-/m1/s1
InChIKeyIHHMNIWBDCUKOM-QGZVFWFLSA-N
XLogP3.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
Tabimorelin
CID 9810101
Bunaftine
CID 36131
N-(2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl)-[1,1'-biphenyl]-4-carboxamide
CID 46673962
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
Azonafide
CID 9948896
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
3-(Aminomethyl)-2-isobutyl-1-oxo-4-phenyl-1,2-dihydroisoquinoline-6-carboxamide
CID 9928326
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940

Frequently Asked Questions

What is the IUPAC name of 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The IUPAC name of 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide (CID 156907198) is 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide.
What is the SMILES notation for 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The canonical SMILES for 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is Cc1ccc(CNC2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
The InChIKey is IHHMNIWBDCUKOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-10-11-18(13-26-20-14-25-15-20)12-23(16)24(28)27-17(2)21-9-5-7-19-6-3-4-8-22(19)21/h3-12,17,20,25-26H,13-15H2,1-2H3,(H,27,28)/t17-/m1/s1.
What are the key properties of 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide?
5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(azetidin-3-ylamino)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide is sourced from PubChem (CID 156907198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).