N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide

C20H29N3O3 — CID 166434437

IUPACN-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCCn1cccc1C(=O)N1CC2(CCCC(CNC(=O)C3(C)CC3)O2)C1
InChIInChI=1S/C20H29N3O3/c1-3-22-11-5-7-16(22)17(24)23-13-20(14-23)8-4-6-15(26-20)12-21-18(25)19(2)9-10-19/h5,7,11,15H,3-4,6,8-10,12-14H2,1-2H3,(H,21,25)
InChIKeyYUYGKLNDJFPADH-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.19
Rot. Bonds5

About N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 166434437) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID166434437
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCCn1cccc1C(=O)N1CC2(CCCC(CNC(=O)C3(C)CC3)O2)C1
InChIInChI=1S/C20H29N3O3/c1-3-22-11-5-7-16(22)17(24)23-13-20(14-23)8-4-6-15(26-20)12-21-18(25)19(2)9-10-19/h5,7,11,15H,3-4,6,8-10,12-14H2,1-2H3,(H,21,25)
InChIKeyYUYGKLNDJFPADH-UHFFFAOYSA-N
XLogP2.19
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzoyl-1H-pyrrol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3238743
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(tetrahydrofuran-2-ylmethyl)pyridine-2-carboxamide
CID 3239666
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3238127
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 3245784
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 3237476
2-[2-(2-methylbenzoyl)pyrrol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3240866
1-Butanone, 2-ethyl-1-(1-(2-morpholinoethyl)-2-pyrrolyl)-, monohydrochloride
CID 26674
9-oxa-6-azaspiro[4.5]decan-6-yl(1H-pyrrol-2-yl)methanone
CID 86771081
[(2S,3S)-3-(2-methoxyethoxy)-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97470829
1-Methyl-N-[(4-methyloxan-4-YL)methyl]-1H-pyrrole-2-carboxamide
CID 110875699
2-methyl-N-[8-(1H-pyrrole-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118738757
Ethyl 2-[3-(pyridine-2-carbonylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]acetate
CID 118739617

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 166434437) is N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide is CCn1cccc1C(=O)N1CC2(CCCC(CNC(=O)C3(C)CC3)O2)C1.
What is the InChIKey of N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is YUYGKLNDJFPADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-22-11-5-7-16(22)17(24)23-13-20(14-23)8-4-6-15(26-20)12-21-18(25)19(2)9-10-19/h5,7,11,15H,3-4,6,8-10,12-14H2,1-2H3,(H,21,25).
What are the key properties of N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethylpyrrole-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 166434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).