N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide

C14H21NO3 — CID 79198698

IUPACN-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
SMILESCc1ccc(CN(C(=O)CCCCO)C2CC2)o1
InChIInChI=1S/C14H21NO3/c1-11-5-8-13(18-11)10-15(12-6-7-12)14(17)4-2-3-9-16/h5,8,12,16H,2-4,6-7,9-10H2,1H3
InChIKeyPZIKWKNUOSBIMT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.24
Rot. Bonds7

About N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide

N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide (PubChem CID 79198698) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
PubChem CID79198698
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
SMILESCc1ccc(CN(C(=O)CCCCO)C2CC2)o1
InChIInChI=1S/C14H21NO3/c1-11-5-8-13(18-11)10-15(12-6-7-12)14(17)4-2-3-9-16/h5,8,12,16H,2-4,6-7,9-10H2,1H3
InChIKeyPZIKWKNUOSBIMT-UHFFFAOYSA-N
XLogP2.24
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 63665475
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60794855
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
2-amino-N-[2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 54871939
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyloctanamide
CID 3882073
N-cyclopropyl-2-(3-methylazetidin-3-yl)oxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 102655903
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627014

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The IUPAC name of N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide (CID 79198698) is N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide.
What is the SMILES notation for N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The canonical SMILES for N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide is Cc1ccc(CN(C(=O)CCCCO)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The InChIKey is PZIKWKNUOSBIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-5-8-13(18-11)10-15(12-6-7-12)14(17)4-2-3-9-16/h5,8,12,16H,2-4,6-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide?
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide has a molecular weight of 251.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide is sourced from PubChem (CID 79198698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).