2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate

C17H21N3O4 — CID 119106258

IUPAC2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate
SMILESO=C(NCc1cncc(-c2ccoc2)c1)OCCN1CCOCC1
InChIInChI=1S/C17H21N3O4/c21-17(24-8-4-20-2-6-22-7-3-20)19-11-14-9-16(12-18-10-14)15-1-5-23-13-15/h1,5,9-10,12-13H,2-4,6-8,11H2,(H,19,21)
InChIKeyOIUIAMGDNTZAFA-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.90
Rot. Bonds6

About 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate

2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate (PubChem CID 119106258) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate
PubChem CID119106258
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate
SMILESO=C(NCc1cncc(-c2ccoc2)c1)OCCN1CCOCC1
InChIInChI=1S/C17H21N3O4/c21-17(24-8-4-20-2-6-22-7-3-20)19-11-14-9-16(12-18-10-14)15-1-5-23-13-15/h1,5,9-10,12-13H,2-4,6-8,11H2,(H,19,21)
InChIKeyOIUIAMGDNTZAFA-UHFFFAOYSA-N
XLogP1.90
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
CID 119106237
1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 122162911
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
CID 119106241
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106238
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
(1-methylpiperidin-4-yl) N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274109
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 117088063
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate (CID 119106258) is 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate is O=C(NCc1cncc(-c2ccoc2)c1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate?
The InChIKey is OIUIAMGDNTZAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-17(24-8-4-20-2-6-22-7-3-20)19-11-14-9-16(12-18-10-14)15-1-5-23-13-15/h1,5,9-10,12-13H,2-4,6-8,11H2,(H,19,21).
What are the key properties of 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate?
2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate has a molecular weight of 331.37 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 119106258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).