N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H28N4O3 — CID 30544005

IUPACN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc([C@H](CNC(=O)Cc2c(C)nn(C)c2C)N2CCOCC2)o1
InChIInChI=1S/C19H28N4O3/c1-13-5-6-18(26-13)17(23-7-9-25-10-8-23)12-20-19(24)11-16-14(2)21-22(4)15(16)3/h5-6,17H,7-12H2,1-4H3,(H,20,24)/t17-/m0/s1
InChIKeyBQTRLYHLJQKFKT-KRWDZBQOSA-N
MW360.46 g/mol
LogP1.67
Rot. Bonds6

About N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 30544005) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID30544005
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ccc([C@H](CNC(=O)Cc2c(C)nn(C)c2C)N2CCOCC2)o1
InChIInChI=1S/C19H28N4O3/c1-13-5-6-18(26-13)17(23-7-9-25-10-8-23)12-20-19(24)11-16-14(2)21-22(4)15(16)3/h5-6,17H,7-12H2,1-4H3,(H,20,24)/t17-/m0/s1
InChIKeyBQTRLYHLJQKFKT-KRWDZBQOSA-N
XLogP1.67
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
4-chloro-1-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-3-carboxamide
CID 74232564
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 126454901
4-ethyl-5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51283119
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-pyrazol-1-ylacetamide
CID 94177106
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
1-benzyl-3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 134039015

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 30544005) is N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ccc([C@H](CNC(=O)Cc2c(C)nn(C)c2C)N2CCOCC2)o1.
What is the InChIKey of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is BQTRLYHLJQKFKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13-5-6-18(26-13)17(23-7-9-25-10-8-23)12-20-19(24)11-16-14(2)21-22(4)15(16)3/h5-6,17H,7-12H2,1-4H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 30544005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).