N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide

C24H37N7O4 — CID 23787473

IUPACN-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
SMILESCCC(C)Nc1nc(NCCOCCOCCNC(=O)c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H37N7O4/c1-3-19(2)27-23-28-22(29-24(30-23)31-11-15-35-16-12-31)26-10-14-34-18-17-33-13-9-25-21(32)20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3,(H,25,32)(H2,26,27,28,29,30)
InChIKeyZYUCQXJHFNTRJK-UHFFFAOYSA-N
MW487.61 g/mol
LogP1.79
Rot. Bonds15

About N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide

N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 23787473) has the molecular formula C24H37N7O4 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
PubChem CID23787473
Molecular FormulaC24H37N7O4
Molecular Weight487.61 g/mol
Exact Mass487.29
IUPAC NameN-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
SMILESCCC(C)Nc1nc(NCCOCCOCCNC(=O)c2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H37N7O4/c1-3-19(2)27-23-28-22(29-24(30-23)31-11-15-35-16-12-31)26-10-14-34-18-17-33-13-9-25-21(32)20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3,(H,25,32)(H2,26,27,28,29,30)
InChIKeyZYUCQXJHFNTRJK-UHFFFAOYSA-N
XLogP1.79
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 23816371
N-[2-[2-[2-[[4-[(2-fluorophenyl)methylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23984555
N-[2-[2-[2-[[4-(butan-2-ylamino)-6-[(4-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23873011
N-[2-[2-[2-[[4-morpholin-4-yl-6-[4-(4-nitrophenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23787494
N-[2-[2-[2-[[4-(cyclohexylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23758346
N-[2-[2-[2-[[4-(benzylamino)-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23758382
N-[2-[2-[2-[[4-anilino-6-(pentan-3-ylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23928942
(2S,3S)-2-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]-3-methylpentanoic acid
CID 23929007
N-[2-[2-[2-[[4-(3-methoxyanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23758345
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
N-[2-[2-[2-[[4-[(4-fluorophenyl)methylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23928943
2-[[4-morpholin-4-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethyl benzoate
CID 110178173

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide (CID 23787473) is N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide is CCC(C)Nc1nc(NCCOCCOCCNC(=O)c2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is ZYUCQXJHFNTRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O4/c1-3-19(2)27-23-28-22(29-24(30-23)31-11-15-35-16-12-31)26-10-14-34-18-17-33-13-9-25-21(32)20-7-5-4-6-8-20/h4-8,19H,3,9-18H2,1-2H3,(H,25,32)(H2,26,27,28,29,30).
What are the key properties of N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide?
N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 487.61 g/mol, XLogP of 1.79, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[[4-(butan-2-ylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 23787473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).