2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide

C24H29N3O2 — CID 42217546

IUPAC2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1cccn1C)N1CCCC1
InChIInChI=1S/C24H29N3O2/c1-3-29-22-13-12-18-9-4-5-10-19(18)23(22)24(28)25-17-21(27-15-6-7-16-27)20-11-8-14-26(20)2/h4-5,8-14,21H,3,6-7,15-17H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyAATOOZTTYOTYFY-NRFANRHFSA-N
MW391.52 g/mol
LogP4.14
Rot. Bonds7

About 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide

2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide (PubChem CID 42217546) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
PubChem CID42217546
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1cccn1C)N1CCCC1
InChIInChI=1S/C24H29N3O2/c1-3-29-22-13-12-18-9-4-5-10-19(18)23(22)24(28)25-17-21(27-15-6-7-16-27)20-11-8-14-26(20)2/h4-5,8-14,21H,3,6-7,15-17H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyAATOOZTTYOTYFY-NRFANRHFSA-N
XLogP4.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trimethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42217682
2-ethoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 16813209
2-ethoxy-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 16813202
N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-ethylbenzamide
CID 42218388
N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 42217496
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,6-dimethoxybenzamide
CID 29340799
2-ethoxy-N-[(2R)-2-ethylhexyl]naphthalene-1-carboxamide
CID 9497344
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
2-chloro-4-fluoro-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42217552

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide (CID 42217546) is 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NC[C@@H](c1cccn1C)N1CCCC1.
What is the InChIKey of 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
The InChIKey is AATOOZTTYOTYFY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-29-22-13-12-18-9-4-5-10-19(18)23(22)24(28)25-17-21(27-15-6-7-16-27)20-11-8-14-26(20)2/h4-5,8-14,21H,3,6-7,15-17H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide?
2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42217546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).