N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide

C19H25NO3 — CID 111478844

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
SMILESCc1cc(C(C)(O)CNC(=O)CC(C)c2ccccc2)c(C)o1
InChIInChI=1S/C19H25NO3/c1-13(16-8-6-5-7-9-16)10-18(21)20-12-19(4,22)17-11-14(2)23-15(17)3/h5-9,11,13,22H,10,12H2,1-4H3,(H,20,21)
InChIKeyYULNYKDQPUJSQN-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.41
Rot. Bonds6

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide (PubChem CID 111478844) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
PubChem CID111478844
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide
SMILESCc1cc(C(C)(O)CNC(=O)CC(C)c2ccccc2)c(C)o1
InChIInChI=1S/C19H25NO3/c1-13(16-8-6-5-7-9-16)10-18(21)20-12-19(4,22)17-11-14(2)23-15(17)3/h5-9,11,13,22H,10,12H2,1-4H3,(H,20,21)
InChIKeyYULNYKDQPUJSQN-UHFFFAOYSA-N
XLogP3.41
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-[2-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 111479033
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-propan-2-ylphenyl)urea
CID 111472886
2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 96567175
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-ethoxyacetamide
CID 96567145
3-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]butanamide
CID 111481480
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(2-thiophen-2-ylpropyl)urea
CID 111481743
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111479003
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
3-(2,3-difluorophenyl)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]propanamide
CID 111478810

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide (CID 111478844) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide is Cc1cc(C(C)(O)CNC(=O)CC(C)c2ccccc2)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide?
The InChIKey is YULNYKDQPUJSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13(16-8-6-5-7-9-16)10-18(21)20-12-19(4,22)17-11-14(2)23-15(17)3/h5-9,11,13,22H,10,12H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide has a molecular weight of 315.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-phenylbutanamide is sourced from PubChem (CID 111478844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).