3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide

C16H19N3O3 — CID 18126981

IUPAC3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19N3O3/c17-16(21)18-15(20)8-9-19(12-14-7-4-10-22-14)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H3,17,18,20,21)
InChIKeyKAOGWZYHONVIEG-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.87
Rot. Bonds7

About 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide

3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide (PubChem CID 18126981) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide
PubChem CID18126981
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide
SMILESNC(=O)NC(=O)CCN(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C16H19N3O3/c17-16(21)18-15(20)8-9-19(12-14-7-4-10-22-14)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H3,17,18,20,21)
InChIKeyKAOGWZYHONVIEG-UHFFFAOYSA-N
XLogP1.87
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl-[2-(carbamoylamino)-2-oxoethyl]amino]propanamide
CID 34910056
N-carbamoyl-2-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
CID 75519007
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
methyl 3-[benzyl-[3-(carbamoylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 51107101
2-[3-aminopropyl(benzyl)amino]-N-carbamoylacetamide
CID 107366810
azane;3-(dibenzylamino)propanoic acid
CID 162310692
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
2-[benzyl(furan-2-ylmethyl)amino]-N-(1-phenylcyclobutyl)acetamide
CID 60501389
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(naphthalen-1-ylamino)-3-oxopropyl]amino]methyl]benzamide
CID 43065666
3-[(3-bromo-4-methoxyphenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid
CID 23996130
2-[benzyl(furan-2-ylmethyl)amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 55354166

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide (CID 18126981) is 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide is NC(=O)NC(=O)CCN(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide?
The InChIKey is KAOGWZYHONVIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-16(21)18-15(20)8-9-19(12-14-7-4-10-22-14)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H3,17,18,20,21).
What are the key properties of 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide?
3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide has a molecular weight of 301.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 18126981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).