N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C20H30N4O3 — CID 136516505

IUPACN-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1CN2CCCC2CN1C(=O)Nc1cc(C(=O)N(C)C)ccc1OC
InChIInChI=1S/C20H30N4O3/c1-5-15-12-23-10-6-7-16(23)13-24(15)20(26)21-17-11-14(19(25)22(2)3)8-9-18(17)27-4/h8-9,11,15-16H,5-7,10,12-13H2,1-4H3,(H,21,26)
InChIKeyHPWFWAXWOZFNOF-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.49
Rot. Bonds4

About N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 136516505) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID136516505
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1CN2CCCC2CN1C(=O)Nc1cc(C(=O)N(C)C)ccc1OC
InChIInChI=1S/C20H30N4O3/c1-5-15-12-23-10-6-7-16(23)13-24(15)20(26)21-17-11-14(19(25)22(2)3)8-9-18(17)27-4/h8-9,11,15-16H,5-7,10,12-13H2,1-4H3,(H,21,26)
InChIKeyHPWFWAXWOZFNOF-UHFFFAOYSA-N
XLogP2.49
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

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CID 97227004
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
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4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
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4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
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CID 25302330
3-ethyl-2-(3-fluoro-4-methoxyphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 136516505) is N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC1CN2CCCC2CN1C(=O)Nc1cc(C(=O)N(C)C)ccc1OC.
What is the InChIKey of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is HPWFWAXWOZFNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-5-15-12-23-10-6-7-16(23)13-24(15)20(26)21-17-11-14(19(25)22(2)3)8-9-18(17)27-4/h8-9,11,15-16H,5-7,10,12-13H2,1-4H3,(H,21,26).
What are the key properties of N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 136516505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).