3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide

C23H25N3O3 — CID 55882454

IUPAC3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-3-20-19(18-9-4-5-10-21(18)29-20)14-26(2)22(27)15-7-6-8-17(13-15)25-23(28)24-16-11-12-16/h4-10,13,16H,3,11-12,14H2,1-2H3,(H2,24,25,28)
InChIKeyXQJKLUDLZPVUHK-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.55
Rot. Bonds6

About 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide

3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide (PubChem CID 55882454) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
PubChem CID55882454
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1cccc(NC(=O)NC2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-3-20-19(18-9-4-5-10-21(18)29-20)14-26(2)22(27)15-7-6-8-17(13-15)25-23(28)24-16-11-12-16/h4-10,13,16H,3,11-12,14H2,1-2H3,(H2,24,25,28)
InChIKeyXQJKLUDLZPVUHK-UHFFFAOYSA-N
XLogP4.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55957402
2-(cyclopropylmethylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylacetamide;hydrochloride
CID 119694665
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
3-(3,4-dimethoxyphenyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylurea
CID 86986903
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-oxopiperidin-1-yl)phenyl]urea
CID 112825840
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8563848
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
4-N-[(2-butyl-1-benzofuran-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 60594549
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
3-(cyclopropylcarbamoylamino)-N-pentan-3-ylbenzamide
CID 60527660

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide (CID 55882454) is 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide is CCc1oc2ccccc2c1CN(C)C(=O)c1cccc(NC(=O)NC2CC2)c1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
The InChIKey is XQJKLUDLZPVUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-20-19(18-9-4-5-10-21(18)29-20)14-26(2)22(27)15-7-6-8-17(13-15)25-23(28)24-16-11-12-16/h4-10,13,16H,3,11-12,14H2,1-2H3,(H2,24,25,28).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide?
3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide has a molecular weight of 391.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 55882454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).