(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C26H30N2O2 — CID 9328523

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3N3CCCC3)ccc2c1
InChIInChI=1S/C26H30N2O2/c1-19(20-10-11-22-17-24(30-3)13-12-21(22)16-20)26(29)27(2)18-23-8-4-5-9-25(23)28-14-6-7-15-28/h4-5,8-13,16-17,19H,6-7,14-15,18H2,1-3H3/t19-/m0/s1
InChIKeyLUWRTWOCCASGHW-IBGZPJMESA-N
MW402.54 g/mol
LogP5.21
Rot. Bonds6

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 9328523) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID9328523
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3N3CCCC3)ccc2c1
InChIInChI=1S/C26H30N2O2/c1-19(20-10-11-22-17-24(30-3)13-12-21(22)16-20)26(29)27(2)18-23-8-4-5-9-25(23)28-14-6-7-15-28/h4-5,8-13,16-17,19H,6-7,14-15,18H2,1-3H3/t19-/m0/s1
InChIKeyLUWRTWOCCASGHW-IBGZPJMESA-N
XLogP5.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 9328523) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3N3CCCC3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is LUWRTWOCCASGHW-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19(20-10-11-22-17-24(30-3)13-12-21(22)16-20)26(29)27(2)18-23-8-4-5-9-25(23)28-14-6-7-15-28/h4-5,8-13,16-17,19H,6-7,14-15,18H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 402.54 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 9328523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).