N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide

C19H24N2O5 — CID 51207731

IUPACN-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C19H24N2O5/c1-13(15-12-14(24-2)8-9-16(15)25-3)21-18(22)7-4-10-20-19(23)17-6-5-11-26-17/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYJZXAGYXJGNQEI-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.68
Rot. Bonds9

About N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide

N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 51207731) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID51207731
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCCNC(=O)c2ccco2)c1
InChIInChI=1S/C19H24N2O5/c1-13(15-12-14(24-2)8-9-16(15)25-3)21-18(22)7-4-10-20-19(23)17-6-5-11-26-17/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYJZXAGYXJGNQEI-UHFFFAOYSA-N
XLogP2.68
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 46606122
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
N-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 24544918
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxyethoxy)butanamide
CID 94463951
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 9477807
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
N-[3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 39966706

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide (CID 51207731) is N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide is COc1ccc(OC)c(C(C)NC(=O)CCCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is YJZXAGYXJGNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-13(15-12-14(24-2)8-9-16(15)25-3)21-18(22)7-4-10-20-19(23)17-6-5-11-26-17/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 51207731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).