N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide

C20H27N3O3 — CID 55364071

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(CCc1ccco1)NC(=O)C(NC(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C20H27N3O3/c1-14(2)18(23-20(25)22-16-8-5-4-6-9-16)19(24)21-15(3)11-12-17-10-7-13-26-17/h4-10,13-15,18H,11-12H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyJWNXKFLIQVWWPI-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.56
Rot. Bonds8

About N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide

N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 55364071) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID55364071
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(CCc1ccco1)NC(=O)C(NC(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C20H27N3O3/c1-14(2)18(23-20(25)22-16-8-5-4-6-9-16)19(24)21-15(3)11-12-17-10-7-13-26-17/h4-10,13-15,18H,11-12H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyJWNXKFLIQVWWPI-UHFFFAOYSA-N
XLogP3.56
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617199
1-(3-fluorophenyl)-3-[(2R)-4-(furan-2-yl)butan-2-yl]urea
CID 1460428
2-[2-(furan-2-yl)ethylamino]-N-phenylpropanamide
CID 60638620
N-[1-(4-bromophenyl)propan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 55717101
4-amino-N-[4-(furan-2-yl)butan-2-yl]-2-methylbutanamide
CID 80543903
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
N-(1-amino-1-oxopropan-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134045604
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
3-methyl-N-[4-(2-methylpropanoylamino)phenyl]-2-(phenylcarbamoylamino)butanamide
CID 78773473
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
N-[(2-chlorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 46643344
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 55364071) is N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(CCc1ccco1)NC(=O)C(NC(=O)Nc1ccccc1)C(C)C.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is JWNXKFLIQVWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)18(23-20(25)22-16-8-5-4-6-9-16)19(24)21-15(3)11-12-17-10-7-13-26-17/h4-10,13-15,18H,11-12H2,1-3H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 357.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 55364071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).