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

C13H19NO2 — CID 60794855

IUPACN-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)C(C)C)C2CC2)o1
InChIInChI=1S/C13H19NO2/c1-9(2)13(15)14(11-5-6-11)8-12-7-4-10(3)16-12/h4,7,9,11H,5-6,8H2,1-3H3
InChIKeyPFEWDGWSLXNBBV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.74
Rot. Bonds4

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

N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 60794855) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID60794855
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)C(C)C)C2CC2)o1
InChIInChI=1S/C13H19NO2/c1-9(2)13(15)14(11-5-6-11)8-12-7-4-10(3)16-12/h4,7,9,11H,5-6,8H2,1-3H3
InChIKeyPFEWDGWSLXNBBV-UHFFFAOYSA-N
XLogP2.74
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 55104325
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 103929276
(2R)-2-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 61162622
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
2-bromo-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 114328211
3-chloro-N-cyclopropyl-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 63665475
N-cyclopropyl-2-methoxy-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 60793853
3-chloro-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 60949956
cis-(1S,2R)-2-[cyclopropyl-[(5-methylfuran-2-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93378560
N-cyclopropyl-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 79198698
N-cyclopropyl-3-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 54871938
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 78898923

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 60794855) is N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CN(C(=O)C(C)C)C2CC2)o1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is PFEWDGWSLXNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)13(15)14(11-5-6-11)8-12-7-4-10(3)16-12/h4,7,9,11H,5-6,8H2,1-3H3.
What are the key properties of N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide?
N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 60794855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).