N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide

C19H19N3O3 — CID 42793623

IUPACN-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide
SMILESNC(=O)NCCC(=O)N(Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c20-19(24)21-11-10-18(23)22(15-7-2-1-3-8-15)13-16-12-14-6-4-5-9-17(14)25-16/h1-9,12H,10-11,13H2,(H3,20,21,24)
InChIKeyASMGKQBRPOJZAJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.02
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide

N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide (PubChem CID 42793623) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide
PubChem CID42793623
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide
SMILESNC(=O)NCCC(=O)N(Cc1cc2ccccc2o1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c20-19(24)21-11-10-18(23)22(15-7-2-1-3-8-15)13-16-12-14-6-4-5-9-17(14)25-16/h1-9,12H,10-11,13H2,(H3,20,21,24)
InChIKeyASMGKQBRPOJZAJ-UHFFFAOYSA-N
XLogP3.02
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
CID 65062614
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
1-(1-benzofuran-2-ylmethyl)-1-hydroxy-3-methylurea;1-(1-benzofuran-2-ylmethyl)-1-hydroxyurea;urea
CID 157285283
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
2-[2-(1-benzofuran-2-ylmethylamino)phenyl]acetamide
CID 43738402
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-(1-benzofuran-2-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42793622
2-(1-benzofuran-2-ylmethylamino)propanamide
CID 43402391
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide (CID 42793623) is N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide is NC(=O)NCCC(=O)N(Cc1cc2ccccc2o1)c1ccccc1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide?
The InChIKey is ASMGKQBRPOJZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c20-19(24)21-11-10-18(23)22(15-7-2-1-3-8-15)13-16-12-14-6-4-5-9-17(14)25-16/h1-9,12H,10-11,13H2,(H3,20,21,24).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide?
N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide has a molecular weight of 337.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-(carbamoylamino)-N-phenylpropanamide is sourced from PubChem (CID 42793623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).