N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

C37H43N5O3 — CID 2835770

IUPACN-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C37H43N5O3/c1-35(2,3)32(43)38-26-16-10-23(11-17-26)29-22-30(24-12-18-27(19-13-24)39-33(44)36(4,5)6)42-31(41-29)25-14-20-28(21-15-25)40-34(45)37(7,8)9/h10-22H,1-9H3,(H,38,43)(H,39,44)(H,40,45)
InChIKeyZIELEERMONSXOW-UHFFFAOYSA-N
MW605.78 g/mol
LogP8.43
Rot. Bonds6

About N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 2835770) has the molecular formula C37H43N5O3 and a molecular weight of 605.78 g/mol. Its IUPAC name is N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID2835770
Molecular FormulaC37H43N5O3
Molecular Weight605.78 g/mol
Exact Mass605.34
IUPAC NameN-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C37H43N5O3/c1-35(2,3)32(43)38-26-16-10-23(11-17-26)29-22-30(24-12-18-27(19-13-24)39-33(44)36(4,5)6)42-31(41-29)25-14-20-28(21-15-25)40-34(45)37(7,8)9/h10-22H,1-9H3,(H,38,43)(H,39,44)(H,40,45)
InChIKeyZIELEERMONSXOW-UHFFFAOYSA-N
XLogP8.43
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.78
LogP ≤ 58.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-[4-(2,2-dimethylpropanoylamino)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 23856573
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2-dimethylpropanamide
CID 101177387
N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 9174046
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294
2,2-dimethyl-N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 9356429
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
2,2-dimethyl-N-[4-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]propanamide
CID 1100701
N-[4-[6-[4-[(2,2-diphenylacetyl)amino]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-2,2-diphenylacetamide
CID 4641253
(Z)-N-[4-[2,6-bis[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]pyrimidin-4-yl]phenyl]-3-phenylprop-2-enamide
CID 99690618
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide (CID 2835770) is N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2cc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc(-c3ccc(NC(=O)C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is ZIELEERMONSXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N5O3/c1-35(2,3)32(43)38-26-16-10-23(11-17-26)29-22-30(24-12-18-27(19-13-24)39-33(44)36(4,5)6)42-31(41-29)25-14-20-28(21-15-25)40-34(45)37(7,8)9/h10-22H,1-9H3,(H,38,43)(H,39,44)(H,40,45).
What are the key properties of N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 605.78 g/mol, XLogP of 8.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2835770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).