2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide

C23H33N3O2 — CID 166183209

IUPAC2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccn(C)c1C1CCC1)c1cccc(OC)c1
InChIInChI=1S/C23H33N3O2/c1-5-26(6-2)21(18-11-8-12-19(15-18)28-4)16-24-23(27)20-13-14-25(3)22(20)17-9-7-10-17/h8,11-15,17,21H,5-7,9-10,16H2,1-4H3,(H,24,27)
InChIKeyYYDHXDGSFSZDQR-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.11
Rot. Bonds9

About 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide

2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide (PubChem CID 166183209) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide
PubChem CID166183209
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccn(C)c1C1CCC1)c1cccc(OC)c1
InChIInChI=1S/C23H33N3O2/c1-5-26(6-2)21(18-11-8-12-19(15-18)28-4)16-24-23(27)20-13-14-25(3)22(20)17-9-7-10-17/h8,11-15,17,21H,5-7,9-10,16H2,1-4H3,(H,24,27)
InChIKeyYYDHXDGSFSZDQR-UHFFFAOYSA-N
XLogP4.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119837688
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
3-(diethylamino)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 166217159
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60562956
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 46545686
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24646474

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide (CID 166183209) is 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide is CCN(CC)C(CNC(=O)c1ccn(C)c1C1CCC1)c1cccc(OC)c1.
What is the InChIKey of 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is YYDHXDGSFSZDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-5-26(6-2)21(18-11-8-12-19(15-18)28-4)16-24-23(27)20-13-14-25(3)22(20)17-9-7-10-17/h8,11-15,17,21H,5-7,9-10,16H2,1-4H3,(H,24,27).
What are the key properties of 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide?
2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 166183209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).