4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

C18H22N2O4 — CID 162476844

IUPAC4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCO)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C18H22N2O4/c1-12(13-7-4-3-5-8-13)16-14(17(22)20-9-6-10-21)11-15(24-16)18(23)19-2/h3-5,7-8,11-12,21H,6,9-10H2,1-2H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyGQYNNDHPFLSGJA-LBPRGKRZSA-N
MW330.38 g/mol
LogP1.90
Rot. Bonds7

About 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide

4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (PubChem CID 162476844) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
PubChem CID162476844
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCCO)c([C@@H](C)c2ccccc2)o1
InChIInChI=1S/C18H22N2O4/c1-12(13-7-4-3-5-8-13)16-14(17(22)20-9-6-10-21)11-15(24-16)18(23)19-2/h3-5,7-8,11-12,21H,6,9-10H2,1-2H3,(H,19,23)(H,20,22)/t12-/m0/s1
InChIKeyGQYNNDHPFLSGJA-LBPRGKRZSA-N
XLogP1.90
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-5-[(1S)-1-phenylethyl]-4-N-propylfuran-2,4-dicarboxamide
CID 146434232
4-N-ethyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 164628635
4-N-ethyl-2-N-methyl-5-[(1R)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434342
4-N-cyclobutyl-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 162476845
N-(cyclopropylmethyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
CID 163737616
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
N-(4-methoxycyclohexyl)-2-[(1S)-1-phenylethyl]-5-propanoylfuran-3-carboxamide
CID 163550541
N-(3-hydroxypropyl)-2-methoxy-4-propan-2-ylbenzamide
CID 98016200
2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 102039466
2,5-dimethyl-N-[3-(1-phenylethoxy)propyl]furan-3-carboxamide
CID 24678092
2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide (CID 162476844) is 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NCCCO)c([C@@H](C)c2ccccc2)o1.
What is the InChIKey of 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
The InChIKey is GQYNNDHPFLSGJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(13-7-4-3-5-8-13)16-14(17(22)20-9-6-10-21)11-15(24-16)18(23)19-2/h3-5,7-8,11-12,21H,6,9-10H2,1-2H3,(H,19,23)(H,20,22)/t12-/m0/s1.
What are the key properties of 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide?
4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-hydroxypropyl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide is sourced from PubChem (CID 162476844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).