N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide

C26H28N4O3 — CID 134533298

IUPACN'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
SMILESNc1ccccc1NC(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H28N4O3/c27-22-10-4-5-11-23(22)30-26(33)18-19-14-16-21(17-15-19)29-25(32)13-7-6-12-24(31)28-20-8-2-1-3-9-20/h1-5,8-11,14-17H,6-7,12-13,18,27H2,(H,28,31)(H,29,32)(H,30,33)
InChIKeyPSPIPCINGGQRBL-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.59
Rot. Bonds10

About N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide

N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide (PubChem CID 134533298) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide.

Molecular Properties

Compound NameN'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
PubChem CID134533298
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
SMILESNc1ccccc1NC(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C26H28N4O3/c27-22-10-4-5-11-23(22)30-26(33)18-19-14-16-21(17-15-19)29-25(32)13-7-6-12-24(31)28-20-8-2-1-3-9-20/h1-5,8-11,14-17H,6-7,12-13,18,27H2,(H,28,31)(H,29,32)(H,30,33)
InChIKeyPSPIPCINGGQRBL-UHFFFAOYSA-N
XLogP4.59
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
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N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
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CID 159516285
N-(2-aminophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114868
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-[5-(2-aminoanilino)-5-oxopentyl]benzamide
CID 155547009
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide?
The IUPAC name of N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide (CID 134533298) is N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide.
What is the SMILES notation for N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide?
The canonical SMILES for N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide is Nc1ccccc1NC(=O)Cc1ccc(NC(=O)CCCCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide?
The InChIKey is PSPIPCINGGQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c27-22-10-4-5-11-23(22)30-26(33)18-19-14-16-21(17-15-19)29-25(32)13-7-6-12-24(31)28-20-8-2-1-3-9-20/h1-5,8-11,14-17H,6-7,12-13,18,27H2,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide?
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide has a molecular weight of 444.54 g/mol, XLogP of 4.59, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide is sourced from PubChem (CID 134533298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).