N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide

C24H25N3O2 — CID 156907156

IUPACN-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2/c1-15-10-11-19(27-23(28)18-13-25-14-18)12-22(15)24(29)26-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,18,25H,13-14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeyWWQSDXDJYWJZRM-MRXNPFEDSA-N
MW387.48 g/mol
LogP3.80
Rot. Bonds5

About N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide

N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide (PubChem CID 156907156) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide
PubChem CID156907156
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2/c1-15-10-11-19(27-23(28)18-13-25-14-18)12-22(15)24(29)26-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,18,25H,13-14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeyWWQSDXDJYWJZRM-MRXNPFEDSA-N
XLogP3.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide (CID 156907156) is N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide is Cc1ccc(NC(=O)C2CNC2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide?
The InChIKey is WWQSDXDJYWJZRM-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-15-10-11-19(27-23(28)18-13-25-14-18)12-22(15)24(29)26-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,18,25H,13-14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1.
What are the key properties of N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide?
N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]phenyl]azetidine-3-carboxamide is sourced from PubChem (CID 156907156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).