N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide

C26H29ClN4O3 — CID 136964969

IUPACN-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C26H29ClN4O3/c1-3-18(4-2)25(32)28-14-17-7-12-22(27)21(13-17)24-29-23(30-26(33)31-24)19-8-10-20(11-9-19)34-15-16-5-6-16/h7-13,16,18H,3-6,14-15H2,1-2H3,(H,28,32)(H,29,30,31,33)
InChIKeyWASQPMZPSLVXPR-UHFFFAOYSA-N
MW481.00 g/mol
LogP4.99
Rot. Bonds10

About N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide

N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide (PubChem CID 136964969) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide
PubChem CID136964969
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC NameN-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCc1ccc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C26H29ClN4O3/c1-3-18(4-2)25(32)28-14-17-7-12-22(27)21(13-17)24-29-23(30-26(33)31-24)19-8-10-20(11-9-19)34-15-16-5-6-16/h7-13,16,18H,3-6,14-15H2,1-2H3,(H,28,32)(H,29,30,31,33)
InChIKeyWASQPMZPSLVXPR-UHFFFAOYSA-N
XLogP4.99
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 136964914
6-[2-chloro-5-(4-ethyl-3-oxohexyl)phenyl]-4-[4-(cyclopropylmethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 159672662
N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 136965011
4-chloro-5-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]-N,N,2-trimethylbenzamide
CID 136964905
N-[[4-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
CID 137301877
N-[[4-chloro-3-[6-oxo-4-(4-propan-2-yloxyphenyl)-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 136965052
N-[[4-chloro-3-[4-[4-[(1S)-1-cyclopropylethoxy]phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 137005214
N-[[4-chloro-3-[4-(3,4-dimethylphenyl)-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2-methoxypropanamide
CID 138483296
N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-2,2-dimethylpropanamide
CID 136964974
N-[[4-chloro-3-(6-oxo-4-phenyl-1H-1,3,5-triazin-2-yl)phenyl]methyl]-1-methylcyclobutane-1-carboxamide
CID 136964977
N-[[4-chloro-3-[4-(3-ethylphenyl)-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2,2-dimethylpropanamide
CID 136965048
N-[[4-chloro-3-[4-[6-(2-methylpropoxy)-3-pyridinyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-3,3,3-trifluoro-2,2-dimethylpropanamide
CID 136964706

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide (CID 136964969) is N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCc1ccc(Cl)c(-c2nc(-c3ccc(OCC4CC4)cc3)nc(=O)[nH]2)c1.
What is the InChIKey of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide?
The InChIKey is WASQPMZPSLVXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-3-18(4-2)25(32)28-14-17-7-12-22(27)21(13-17)24-29-23(30-26(33)31-24)19-8-10-20(11-9-19)34-15-16-5-6-16/h7-13,16,18H,3-6,14-15H2,1-2H3,(H,28,32)(H,29,30,31,33).
What are the key properties of N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide?
N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide has a molecular weight of 481.00 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-[4-(cyclopropylmethoxy)phenyl]-6-oxo-1H-1,3,5-triazin-2-yl]phenyl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 136964969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).