N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide

C24H26N2O — CID 75369445

IUPACN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O/c27-24(23-11-10-21-8-4-5-9-22(21)16-23)25-17-20-13-15-26(18-20)14-12-19-6-2-1-3-7-19/h1-11,16,20H,12-15,17-18H2,(H,25,27)
InChIKeyFYKXAJWEGUGZOD-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.13
Rot. Bonds6

About N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide

N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide (PubChem CID 75369445) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
PubChem CID75369445
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1CCN(CCc2ccccc2)C1)c1ccc2ccccc2c1
InChIInChI=1S/C24H26N2O/c27-24(23-11-10-21-8-4-5-9-22(21)16-23)25-17-20-13-15-26(18-20)14-12-19-6-2-1-3-7-19/h1-11,16,20H,12-15,17-18H2,(H,25,27)
InChIKeyFYKXAJWEGUGZOD-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97185415
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
4-chloro-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-2-carboxamide
CID 154755126
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]naphthalene-2-carboxamide
CID 16895883
5-amino-2-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzamide;dihydrochloride
CID 120645543
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-prop-2-enylurea
CID 95570926
1-[[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 95320670
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
(2R,6R)-2,6-dimethyl-N-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
CID 100844139
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
1-[(1R,2R)-2-methylcyclopropyl]-3-[[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 129423731

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide (CID 75369445) is N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide is O=C(NCC1CCN(CCc2ccccc2)C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is FYKXAJWEGUGZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c27-24(23-11-10-21-8-4-5-9-22(21)16-23)25-17-20-13-15-26(18-20)14-12-19-6-2-1-3-7-19/h1-11,16,20H,12-15,17-18H2,(H,25,27).
What are the key properties of N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide?
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 75369445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).