N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide

C13H22N2O2 — CID 60852335

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(CN(C)C(=O)CCNC(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-10(2)14-8-7-13(16)15(4)9-12-6-5-11(3)17-12/h5-6,10,14H,7-9H2,1-4H3
InChIKeyGRXOGIDECJPXJS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.93
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 60852335) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID60852335
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCc1ccc(CN(C)C(=O)CCNC(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-10(2)14-8-7-13(16)15(4)9-12-6-5-11(3)17-12/h5-6,10,14H,7-9H2,1-4H3
InChIKeyGRXOGIDECJPXJS-UHFFFAOYSA-N
XLogP1.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 83195169
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 31152189
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54972424
N-[4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 34755792
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide (CID 60852335) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide is Cc1ccc(CN(C)C(=O)CCNC(C)C)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is GRXOGIDECJPXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)14-8-7-13(16)15(4)9-12-6-5-11(3)17-12/h5-6,10,14H,7-9H2,1-4H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 60852335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).