N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

C16H24N4O2 — CID 95354727

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESCc1ccc(CN(C)C(=O)CN[C@@H](C)[C@@H](C)n2cccn2)o1
InChIInChI=1S/C16H24N4O2/c1-12-6-7-15(22-12)11-19(4)16(21)10-17-13(2)14(3)20-9-5-8-18-20/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyUNGZLVATBBVKTB-UONOGXRCSA-N
MW304.39 g/mol
LogP1.98
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (PubChem CID 95354727) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
PubChem CID95354727
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
SMILESCc1ccc(CN(C)C(=O)CN[C@@H](C)[C@@H](C)n2cccn2)o1
InChIInChI=1S/C16H24N4O2/c1-12-6-7-15(22-12)11-19(4)16(21)10-17-13(2)14(3)20-9-5-8-18-20/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14+/m0/s1
InChIKeyUNGZLVATBBVKTB-UONOGXRCSA-N
XLogP1.98
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 83195169
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
N-methyl-2-[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95759748
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 78915164
2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]-N-pyridin-3-ylacetamide
CID 95345808
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590
(2R,3S)-N-[(5-chlorofuran-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276291
2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 65263837
4-amino-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120597638
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-N-propan-2-ylanilino)acetamide
CID 86953204
3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137138
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56866880

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide (CID 95354727) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is Cc1ccc(CN(C)C(=O)CN[C@@H](C)[C@@H](C)n2cccn2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
The InChIKey is UNGZLVATBBVKTB-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-6-7-15(22-12)11-19(4)16(21)10-17-13(2)14(3)20-9-5-8-18-20/h5-9,13-14,17H,10-11H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide is sourced from PubChem (CID 95354727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).