(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide

C14H18N2O2 — CID 42426854

IUPAC(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide
SMILESCC(C)[C@@H](C(=O)NCc1ccco1)n1cccc1
InChIInChI=1S/C14H18N2O2/c1-11(2)13(16-7-3-4-8-16)14(17)15-10-12-6-5-9-18-12/h3-9,11,13H,10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyCFYUXIPCYMGMMA-ZDUSSCGKSA-N
MW246.31 g/mol
LogP2.59
Rot. Bonds5

About (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide (PubChem CID 42426854) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide
PubChem CID42426854
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide
SMILESCC(C)[C@@H](C(=O)NCc1ccco1)n1cccc1
InChIInChI=1S/C14H18N2O2/c1-11(2)13(16-7-3-4-8-16)14(17)15-10-12-6-5-9-18-12/h3-9,11,13H,10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyCFYUXIPCYMGMMA-ZDUSSCGKSA-N
XLogP2.59
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
N-(furan-2-ylmethyl)acetamide
CID 2394850
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
CID 94814781
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide (CID 42426854) is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide is CC(C)[C@@H](C(=O)NCc1ccco1)n1cccc1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
The InChIKey is CFYUXIPCYMGMMA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11(2)13(16-7-3-4-8-16)14(17)15-10-12-6-5-9-18-12/h3-9,11,13H,10H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide?
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 42426854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).