N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide

C12H19NO3 — CID 95740792

IUPACN-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)c1ccco1
InChIInChI=1S/C12H19NO3/c1-12(2,3)10(14)6-7-13-11(15)9-5-4-8-16-9/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyCPWVRIRGOZDTAA-SNVBAGLBSA-N
MW225.29 g/mol
LogP1.81
Rot. Bonds4

About N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide

N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide (PubChem CID 95740792) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
PubChem CID95740792
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
SMILESCC(C)(C)[C@H](O)CCNC(=O)c1ccco1
InChIInChI=1S/C12H19NO3/c1-12(2,3)10(14)6-7-13-11(15)9-5-4-8-16-9/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyCPWVRIRGOZDTAA-SNVBAGLBSA-N
XLogP1.81
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-hydroxy-4-methylpentyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 111460641
N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523327
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-(4,4,4-trifluoro-3,3-dimethylbutyl)furan-2-carboxamide
CID 122159869
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
1-benzyl-3-[(3R)-3-hydroxy-4,4-dimethylpentyl]urea
CID 95984730
1-(furan-2-yl)-3-[(2-hydroxy-3,3-dimethylbutyl)amino]propan-1-one
CID 70926804
N-[2-(2-hydroxy-2-methylpropyl)sulfanylethyl]furan-2-carboxamide
CID 71875126
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-[(3-hydroxy-4-methoxybutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 103876816

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide (CID 95740792) is N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide is CC(C)(C)[C@H](O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide?
The InChIKey is CPWVRIRGOZDTAA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,3)10(14)6-7-13-11(15)9-5-4-8-16-9/h4-5,8,10,14H,6-7H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide?
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide is sourced from PubChem (CID 95740792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).