N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

C18H24N2O3 — CID 97453798

IUPACN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC[C@@H](c2ccccc2C)N(C)C)o1
InChIInChI=1S/C18H24N2O3/c1-13-7-5-6-8-15(13)16(20(2)3)11-19-18(21)17-10-9-14(23-17)12-22-4/h5-10,16H,11-12H2,1-4H3,(H,19,21)/t16-/m0/s1
InChIKeyXXDTYRUIKBQDSC-INIZCTEOSA-N
MW316.40 g/mol
LogP2.77
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 97453798) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID97453798
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC[C@@H](c2ccccc2C)N(C)C)o1
InChIInChI=1S/C18H24N2O3/c1-13-7-5-6-8-15(13)16(20(2)3)11-19-18(21)17-10-9-14(23-17)12-22-4/h5-10,16H,11-12H2,1-4H3,(H,19,21)/t16-/m0/s1
InChIKeyXXDTYRUIKBQDSC-INIZCTEOSA-N
XLogP2.77
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
CID 78833523
N-[(2R)-2-(ethylamino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 120650443
5-(methoxymethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]furan-2-carboxamide
CID 78873190
5-(methoxymethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 78852151
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]-N-methylfuran-2-carboxamide
CID 72932314
N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840867
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-(methoxymethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 78827581
5-(methoxymethyl)-N-[(1-phenylcyclopentyl)methyl]furan-2-carboxamide
CID 86918294

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (CID 97453798) is N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NC[C@@H](c2ccccc2C)N(C)C)o1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is XXDTYRUIKBQDSC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-7-5-6-8-15(13)16(20(2)3)11-19-18(21)17-10-9-14(23-17)12-22-4/h5-10,16H,11-12H2,1-4H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 97453798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).