3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide

C23H24N2O — CID 95043843

IUPAC3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide
SMILESC[C@@H](c1ccc2ccccc2c1)N(Cc1cccc(C(N)=O)c1)C1CC1
InChIInChI=1S/C23H24N2O/c1-16(19-10-9-18-6-2-3-7-20(18)14-19)25(22-11-12-22)15-17-5-4-8-21(13-17)23(24)26/h2-10,13-14,16,22H,11-12,15H2,1H3,(H2,24,26)/t16-/m0/s1
InChIKeyKKPYVDDNQMKFQP-INIZCTEOSA-N
MW344.46 g/mol
LogP4.66
Rot. Bonds6

About 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide

3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide (PubChem CID 95043843) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide
PubChem CID95043843
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide
SMILESC[C@@H](c1ccc2ccccc2c1)N(Cc1cccc(C(N)=O)c1)C1CC1
InChIInChI=1S/C23H24N2O/c1-16(19-10-9-18-6-2-3-7-20(18)14-19)25(22-11-12-22)15-17-5-4-8-21(13-17)23(24)26/h2-10,13-14,16,22H,11-12,15H2,1H3,(H2,24,26)/t16-/m0/s1
InChIKeyKKPYVDDNQMKFQP-INIZCTEOSA-N
XLogP4.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide?
The IUPAC name of 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide (CID 95043843) is 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide is C[C@@H](c1ccc2ccccc2c1)N(Cc1cccc(C(N)=O)c1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide?
The InChIKey is KKPYVDDNQMKFQP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N2O/c1-16(19-10-9-18-6-2-3-7-20(18)14-19)25(22-11-12-22)15-17-5-4-8-21(13-17)23(24)26/h2-10,13-14,16,22H,11-12,15H2,1H3,(H2,24,26)/t16-/m0/s1.
What are the key properties of 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide?
3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-[(1S)-1-naphthalen-2-ylethyl]amino]methyl]benzamide is sourced from PubChem (CID 95043843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).