N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide

C18H22N2O3 — CID 51314573

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1ccc(C(C)NC(=O)CCNC(=O)Cc2ccccc2)o1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-16(23-13)14(2)20-17(21)10-11-19-18(22)12-15-6-4-3-5-7-15/h3-9,14H,10-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQSHFEJLKHMYWTC-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.51
Rot. Bonds7

About N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide

N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 51314573) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID51314573
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1ccc(C(C)NC(=O)CCNC(=O)Cc2ccccc2)o1
InChIInChI=1S/C18H22N2O3/c1-13-8-9-16(23-13)14(2)20-17(21)10-11-19-18(22)12-15-6-4-3-5-7-15/h3-9,14H,10-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyQSHFEJLKHMYWTC-UHFFFAOYSA-N
XLogP2.51
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-[[(1S)-1-(5-methylfuran-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 38468933
3-[(2-phenylacetyl)amino]-N-[(1S)-1-(4-phenylphenyl)ethyl]propanamide
CID 30826333
N-[1-(4-chlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134036301
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
N-[1-(5-methylfuran-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 47110602
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
N-[1-(2,4-dichlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51311614
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 47007711
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide (CID 51314573) is N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide is Cc1ccc(C(C)NC(=O)CCNC(=O)Cc2ccccc2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is QSHFEJLKHMYWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-8-9-16(23-13)14(2)20-17(21)10-11-19-18(22)12-15-6-4-3-5-7-15/h3-9,14H,10-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 314.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 51314573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).