N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

C24H24N2O5 — CID 134032583

IUPACN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O
InChIInChI=1S/C24H24N2O5/c1-17-24(29)26(20-9-3-5-11-22(20)31-17)13-12-23(28)25(16-19-8-6-14-30-19)15-18-7-2-4-10-21(18)27/h2-11,14,17,27H,12-13,15-16H2,1H3
InChIKeyYELUFIXSVXDPGP-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.72
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 134032583) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID134032583
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O
InChIInChI=1S/C24H24N2O5/c1-17-24(29)26(20-9-3-5-11-22(20)31-17)13-12-23(28)25(16-19-8-6-14-30-19)15-18-7-2-4-10-21(18)27/h2-11,14,17,27H,12-13,15-16H2,1H3
InChIKeyYELUFIXSVXDPGP-UHFFFAOYSA-N
XLogP3.72
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]hexanamide
CID 60592362
N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134063240
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 134032585
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-2-(1,2-oxazol-3-yl)acetamide
CID 75387529
N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 60618992
N-(2,6-diethylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 17498460
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)propanamide
CID 4695006
N-benzyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135738202
N-benzyl-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 37428744
N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 96517602
(3R)-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-methylhexanamide
CID 96518313
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51648652

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 134032583) is N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is CC1Oc2ccccc2N(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is YELUFIXSVXDPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-17-24(29)26(20-9-3-5-11-22(20)31-17)13-12-23(28)25(16-19-8-6-14-30-19)15-18-7-2-4-10-21(18)27/h2-11,14,17,27H,12-13,15-16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 420.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 134032583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).