N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C16H25N3O3 — CID 120804331

IUPACN-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C16H25N3O3/c1-11(2)13(18-14(20)12-5-4-8-22-12)15(21)19-7-6-16(3,9-17)10-19/h4-5,8,11,13H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyQQOIQFGBQCQGFT-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.23
Rot. Bonds5

About N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 120804331) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID120804331
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C16H25N3O3/c1-11(2)13(18-14(20)12-5-4-8-22-12)15(21)19-7-6-16(3,9-17)10-19/h4-5,8,11,13H,6-7,9-10,17H2,1-3H3,(H,18,20)
InChIKeyQQOIQFGBQCQGFT-UHFFFAOYSA-N
XLogP1.23
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 120814575
N-[(2R)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 42562193
1-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
CID 120805768
N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide;hydrochloride
CID 119546608
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 120810441
N-[3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 119398584
N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 43042153
(3R,4R)-4-cyclopropyl-1-[2-(furan-2-carbonylamino)-3-methylbutanoyl]pyrrolidine-3-carboxylic acid
CID 120979628
(3S,4S)-1-[2-(furan-2-carbonylamino)-3-methylbutanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950087
methyl 2-(4-chlorophenyl)-2-[4-[2-(furan-2-carbonylamino)-3-methylbutanoyl]piperazin-1-yl]acetate
CID 43063811
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24536788
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 120804617

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 120804331) is N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)N1CCC(C)(CN)C1.
What is the InChIKey of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is QQOIQFGBQCQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11(2)13(18-14(20)12-5-4-8-22-12)15(21)19-7-6-16(3,9-17)10-19/h4-5,8,11,13H,6-7,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 120804331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).