N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide

C21H26N4O5 — CID 55818884

IUPACN-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)NCCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N4O5/c1-3-22-19(26)14-30-18-10-6-16(7-11-18)25-21(28)24-13-12-23-20(27)15-4-8-17(29-2)9-5-15/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyPZRQPUDFQSAWRG-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.76
Rot. Bonds10

About N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide

N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide (PubChem CID 55818884) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
PubChem CID55818884
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)NCCNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C21H26N4O5/c1-3-22-19(26)14-30-18-10-6-16(7-11-18)25-21(28)24-13-12-23-20(27)15-4-8-17(29-2)9-5-15/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28)
InChIKeyPZRQPUDFQSAWRG-UHFFFAOYSA-N
XLogP1.76
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
4-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]butanoic acid
CID 122075495
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-(methoxysulfamoyl)benzamide
CID 46460655

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide (CID 55818884) is N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide is CCNC(=O)COc1ccc(NC(=O)NCCNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide?
The InChIKey is PZRQPUDFQSAWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-3-22-19(26)14-30-18-10-6-16(7-11-18)25-21(28)24-13-12-23-20(27)15-4-8-17(29-2)9-5-15/h4-11H,3,12-14H2,1-2H3,(H,22,26)(H,23,27)(H2,24,25,28).
What are the key properties of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide?
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide has a molecular weight of 414.46 g/mol, XLogP of 1.76, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoylamino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 55818884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).