2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide

C19H25N3O3 — CID 42703820

IUPAC2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide
SMILESCCC(C)C(NC(=O)NCc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H25N3O3/c1-3-14(2)17(18(23)20-13-16-10-7-11-25-16)22-19(24)21-12-15-8-5-4-6-9-15/h4-11,14,17H,3,12-13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyJFKNIWLUEDUCOQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.81
Rot. Bonds8

About 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide

2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide (PubChem CID 42703820) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide
PubChem CID42703820
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide
SMILESCCC(C)C(NC(=O)NCc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H25N3O3/c1-3-14(2)17(18(23)20-13-16-10-7-11-25-16)22-19(24)21-12-15-8-5-4-6-9-15/h4-11,14,17H,3,12-13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyJFKNIWLUEDUCOQ-UHFFFAOYSA-N
XLogP2.81
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(benzylcarbamoylamino)-3-methylpentanoate
CID 7177499
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
N-[(2R,3S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 7064745
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
(2S)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]-1-[2-(furan-2-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163884051
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4904765
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
(3S)-N-[(2S)-1-(furan-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 52995163
1-benzyl-3-butan-2-ylurea
CID 10512480
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide (CID 42703820) is 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide is CCC(C)C(NC(=O)NCc1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide?
The InChIKey is JFKNIWLUEDUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-14(2)17(18(23)20-13-16-10-7-11-25-16)22-19(24)21-12-15-8-5-4-6-9-15/h4-11,14,17H,3,12-13H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide?
2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide has a molecular weight of 343.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-(furan-2-ylmethyl)-3-methylpentanamide is sourced from PubChem (CID 42703820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).