N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide

C22H23NO3 — CID 134032585

IUPACN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c1
InChIInChI=1S/C22H23NO3/c1-17-6-4-7-18(14-17)11-12-22(25)23(16-20-9-5-13-26-20)15-19-8-2-3-10-21(19)24/h2-10,13-14,24H,11-12,15-16H2,1H3
InChIKeyBHHNSZPSQMXNLQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.46
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide (PubChem CID 134032585) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
PubChem CID134032585
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c1
InChIInChI=1S/C22H23NO3/c1-17-6-4-7-18(14-17)11-12-22(25)23(16-20-9-5-13-26-20)15-19-8-2-3-10-21(19)24/h2-10,13-14,24H,11-12,15-16H2,1H3
InChIKeyBHHNSZPSQMXNLQ-UHFFFAOYSA-N
XLogP4.46
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 134032635
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 78828421
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
CID 96518313
N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide
CID 97072110
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134032583
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]thiourea
CID 8679460
N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
3-(2,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]thiourea
CID 8679459

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide (CID 134032585) is N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide?
The InChIKey is BHHNSZPSQMXNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-17-6-4-7-18(14-17)11-12-22(25)23(16-20-9-5-13-26-20)15-19-8-2-3-10-21(19)24/h2-10,13-14,24H,11-12,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide?
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 134032585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).