(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide

C21H26N2O2 — CID 9087764

IUPAC(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
SMILESCCN1CCC[C@H]1CNC(=O)/C=C/c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H26N2O2/c1-3-23-12-4-5-19(23)15-22-21(24)11-7-16-6-8-18-14-20(25-2)10-9-17(18)13-16/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,22,24)/b11-7+/t19-/m0/s1
InChIKeyHHUANPSTGSCQAG-SSVWKNEZSA-N
MW338.45 g/mol
LogP3.46
Rot. Bonds6

About (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide

(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide (PubChem CID 9087764) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
PubChem CID9087764
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
SMILESCCN1CCC[C@H]1CNC(=O)/C=C/c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H26N2O2/c1-3-23-12-4-5-19(23)15-22-21(24)11-7-16-6-8-18-14-20(25-2)10-9-17(18)13-16/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,22,24)/b11-7+/t19-/m0/s1
InChIKeyHHUANPSTGSCQAG-SSVWKNEZSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4-methoxyphenyl)methoxyimino]acetamide
CID 10781908
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 97496283
2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111083941
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 7987088
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-iodo-3-methoxynaphthalene-2-carboxamide
CID 14528112
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111024399
(E)-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 99903531
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 56951797
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(3-methoxyphenyl)thiourea
CID 2534609
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71701198

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide (CID 9087764) is (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide is CCN1CCC[C@H]1CNC(=O)/C=C/c1ccc2cc(OC)ccc2c1.
What is the InChIKey of (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The InChIKey is HHUANPSTGSCQAG-SSVWKNEZSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-23-12-4-5-19(23)15-22-21(24)11-7-16-6-8-18-14-20(25-2)10-9-17(18)13-16/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,22,24)/b11-7+/t19-/m0/s1.
What are the key properties of (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide?
(E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide has a molecular weight of 338.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(6-methoxynaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 9087764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).