N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide

C18H24N2O3 — CID 119128983

IUPACN-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCC(C)Oc1ccc(CNC(C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(2)23-16-8-6-15(7-9-16)11-19-14(3)18(21)20-12-17-5-4-10-22-17/h4-10,13-14,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyMQTDLHRMQXVCAJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.86
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide

N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide (PubChem CID 119128983) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
PubChem CID119128983
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCC(C)Oc1ccc(CNC(C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H24N2O3/c1-13(2)23-16-8-6-15(7-9-16)11-19-14(3)18(21)20-12-17-5-4-10-22-17/h4-10,13-14,19H,11-12H2,1-3H3,(H,20,21)
InChIKeyMQTDLHRMQXVCAJ-UHFFFAOYSA-N
XLogP2.86
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
2-(furan-2-ylmethylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100877
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide (CID 119128983) is N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide is CC(C)Oc1ccc(CNC(C)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The InChIKey is MQTDLHRMQXVCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)23-16-8-6-15(7-9-16)11-19-14(3)18(21)20-12-17-5-4-10-22-17/h4-10,13-14,19H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide is sourced from PubChem (CID 119128983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).