N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide

C30H36N4O3 — CID 15462667

IUPACN-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(CCNC(=O)c2ccc(C)cc2)CCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H36N4O3/c1-22-4-10-25(11-5-22)28(35)31-16-19-34(20-17-32-29(36)26-12-6-23(2)7-13-26)21-18-33-30(37)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)
InChIKeyYPQPXZZBJPEPLH-UHFFFAOYSA-N
MW500.64 g/mol
LogP3.50
Rot. Bonds12

About N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide

N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide (PubChem CID 15462667) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
PubChem CID15462667
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC NameN-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(CCNC(=O)c2ccc(C)cc2)CCNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H36N4O3/c1-22-4-10-25(11-5-22)28(35)31-16-19-34(20-17-32-29(36)26-12-6-23(2)7-13-26)21-18-33-30(37)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)
InChIKeyYPQPXZZBJPEPLH-UHFFFAOYSA-N
XLogP3.50
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916034
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
N-[2-[heptyl(pentyl)amino]ethyl]-4-[4-[2-[heptyl(pentyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139954407
(E)-but-2-en-2-amine;N-[2-[ethyl(propyl)amino]ethyl]-4-methylbenzamide
CID 143916257
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[2-[butyl(octyl)amino]ethyl]-4-[4-[2-[butyl(octyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 139955241
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
N-[2-(diethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 108570702
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide (CID 15462667) is N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCN(CCNC(=O)c2ccc(C)cc2)CCNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide?
The InChIKey is YPQPXZZBJPEPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-22-4-10-25(11-5-22)28(35)31-16-19-34(20-17-32-29(36)26-12-6-23(2)7-13-26)21-18-33-30(37)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3,(H,31,35)(H,32,36)(H,33,37).
What are the key properties of N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide?
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide has a molecular weight of 500.64 g/mol, XLogP of 3.50, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 15462667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).