N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide

C22H27N3O4 — CID 4933763

IUPACN-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-3-4-5-6-15-29-20-13-9-18(10-14-20)22(28)25-24-21(27)17-7-11-19(12-8-17)23-16(2)26/h7-14H,3-6,15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyRHHBQISJZNZPOW-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.68
Rot. Bonds9

About N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide

N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide (PubChem CID 4933763) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
PubChem CID4933763
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H27N3O4/c1-3-4-5-6-15-29-20-13-9-18(10-14-20)22(28)25-24-21(27)17-7-11-19(12-8-17)23-16(2)26/h7-14H,3-6,15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyRHHBQISJZNZPOW-UHFFFAOYSA-N
XLogP3.68
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4933795
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N-[4-[[4-[(4-hexoxyphenyl)diazenyl]phenyl]diazenyl]phenyl]acetamide
CID 126491954
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
4-hexoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4934688

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide (CID 4933763) is N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide is CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
The InChIKey is RHHBQISJZNZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-4-5-6-15-29-20-13-9-18(10-14-20)22(28)25-24-21(27)17-7-11-19(12-8-17)23-16(2)26/h7-14H,3-6,15H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide?
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide is sourced from PubChem (CID 4933763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).