2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide

C16H25N3O2 — CID 106599799

IUPAC2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-10-15-5-3-9-21-15)19(14-6-7-14)11-13-4-2-8-17-13/h3,5,9,12-14,17H,2,4,6-8,10-11H2,1H3,(H,18,20)
InChIKeyBJVZKZOKXZBETN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.50
Rot. Bonds7

About 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide

2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 106599799) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
PubChem CID106599799
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-10-15-5-3-9-21-15)19(14-6-7-14)11-13-4-2-8-17-13/h3,5,9,12-14,17H,2,4,6-8,10-11H2,1H3,(H,18,20)
InChIKeyBJVZKZOKXZBETN-UHFFFAOYSA-N
XLogP1.50
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
[(Furan-2-yl)methyl]urea
CID 587724
1-Furfurylpyrrolidine
CID 3768984
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
2-cyano-N-((furan-2-yl)methyl)acetamide
CID 304848
N,N'-Difurfuryloxamide
CID 330826
Bis((furan-2-yl)methyl)amine
CID 557214
N-Furfurylmaleimide
CID 292901
ST50925815
CID 1203008
(2S)-2-[(5-formylfuran-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 23653741
(2S)-2-(furan-2-ylformamido)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093405

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide (CID 106599799) is 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide is CC(C(=O)NCc1ccco1)N(CC1CCCN1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BJVZKZOKXZBETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(16(20)18-10-15-5-3-9-21-15)19(14-6-7-14)11-13-4-2-8-17-13/h3,5,9,12-14,17H,2,4,6-8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide?
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 106599799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).