N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C22H21N3O7 — CID 126008403

IUPACN-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O7/c1-29-17-11-13(12-18(30-2)19(17)31-3)20(26)23-15-8-5-4-7-14(15)21(27)24-25-22(28)16-9-6-10-32-16/h4-12H,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyKMGDIZOFTQRPKI-UHFFFAOYSA-N
MW439.42 g/mol
LogP2.63
Rot. Bonds7

About N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 126008403) has the molecular formula C22H21N3O7 and a molecular weight of 439.42 g/mol. Its IUPAC name is N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID126008403
Molecular FormulaC22H21N3O7
Molecular Weight439.42 g/mol
Exact Mass439.14
IUPAC NameN-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O7/c1-29-17-11-13(12-18(30-2)19(17)31-3)20(26)23-15-8-5-4-7-14(15)21(27)24-25-22(28)16-9-6-10-32-16/h4-12H,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyKMGDIZOFTQRPKI-UHFFFAOYSA-N
XLogP2.63
TPSA128.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
CID 126007751
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581

Frequently Asked Questions

What is the IUPAC name of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 126008403) is N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccco2)cc(OC)c1OC.
What is the InChIKey of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KMGDIZOFTQRPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O7/c1-29-17-11-13(12-18(30-2)19(17)31-3)20(26)23-15-8-5-4-7-14(15)21(27)24-25-22(28)16-9-6-10-32-16/h4-12H,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 439.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 126008403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).