4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide

C19H23N3O4 — CID 72871951

IUPAC4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(CNC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)o1
InChIInChI=1S/C19H23N3O4/c1-13-4-9-17(26-13)12-21-19(24)22-15-7-5-14(6-8-15)18(23)20-11-16-3-2-10-25-16/h4-9,16H,2-3,10-12H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyKILOMGXZDKHGHU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.82
Rot. Bonds6

About 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide

4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 72871951) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID72871951
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(CNC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)o1
InChIInChI=1S/C19H23N3O4/c1-13-4-9-17(26-13)12-21-19(24)22-15-7-5-14(6-8-15)18(23)20-11-16-3-2-10-25-16/h4-9,16H,2-3,10-12H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyKILOMGXZDKHGHU-UHFFFAOYSA-N
XLogP2.82
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-(cyclohexylcarbamoylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 42579542
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-ethoxy-N-[2-oxo-2-[4-(oxolan-2-ylmethylcarbamoylamino)anilino]ethyl]benzamide
CID 55527840
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1292661
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 72871951) is 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(CNC(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KILOMGXZDKHGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-4-9-17(26-13)12-21-19(24)22-15-7-5-14(6-8-15)18(23)20-11-16-3-2-10-25-16/h4-9,16H,2-3,10-12H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide?
4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylcarbamoylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 72871951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).