N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide

C17H22N2O3 — CID 120885996

IUPACN-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N(CCN)CCc2ccccc2)o1
InChIInChI=1S/C17H22N2O3/c1-21-13-15-7-8-16(22-15)17(20)19(12-10-18)11-9-14-5-3-2-4-6-14/h2-8H,9-13,18H2,1H3
InChIKeyAKCYPIXVMAQLHU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.07
Rot. Bonds8

About N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide

N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide (PubChem CID 120885996) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
PubChem CID120885996
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)N(CCN)CCc2ccccc2)o1
InChIInChI=1S/C17H22N2O3/c1-21-13-15-7-8-16(22-15)17(20)19(12-10-18)11-9-14-5-3-2-4-6-14/h2-8H,9-13,18H2,1H3
InChIKeyAKCYPIXVMAQLHU-UHFFFAOYSA-N
XLogP2.07
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide
CID 120885066
N-(2-aminoethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 120886036
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
5-(methoxymethyl)-N-phenylmethoxyfuran-2-carboxamide
CID 78827585
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291
N-ethyl-5-(methoxymethyl)-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 78852716
N-ethyl-5-(methoxymethyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 86926941
N-benzyl-5-[[benzyl-[(2-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 42659403
N-benzyl-5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 5008324

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide (CID 120885996) is N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide is COCc1ccc(C(=O)N(CCN)CCc2ccccc2)o1.
What is the InChIKey of N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide?
The InChIKey is AKCYPIXVMAQLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-21-13-15-7-8-16(22-15)17(20)19(12-10-18)11-9-14-5-3-2-4-6-14/h2-8H,9-13,18H2,1H3.
What are the key properties of N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide?
N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 120885996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).