N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide

C21H23N3O — CID 15744779

IUPACN-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21
InChIInChI=1S/C21H23N3O/c1-15(25)23-21(16-9-5-4-6-10-16)17-11-7-8-12-18(17)24-14-20(2,3)13-22-19(21)24/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyMUKCGXCNORDUHK-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.32
Rot. Bonds2

About N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide

N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide (PubChem CID 15744779) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide
PubChem CID15744779
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide
SMILESCC(=O)NC1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21
InChIInChI=1S/C21H23N3O/c1-15(25)23-21(16-9-5-4-6-10-16)17-11-7-8-12-18(17)24-14-20(2,3)13-22-19(21)24/h4-12H,13-14H2,1-3H3,(H,23,25)
InChIKeyMUKCGXCNORDUHK-UHFFFAOYSA-N
XLogP3.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
CID 13389366
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(2-phenylethyl)-2,3-dihydroindole
CID 13869748
(2S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2-propyl-3H-indole
CID 44286338
N-[[(2R)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-3H-indol-2-yl]methyl]-N-propan-2-ylpropan-2-amine
CID 44286530
(2S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1,2-dimethyl-3H-indole
CID 44286605
(2S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2-prop-2-enyl-3H-indole
CID 44286606
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-2-{4-methyl-2-oxo-2H,6H-pyrimido[1,2-B]indazol-6-YL}acetamide
CID 3433218
2-(4,5-dihydro-1H-imidazol-2-yl)-1-ethyl-2-methyl-3H-indole;hydrochloride
CID 14064731
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6(2H)-yl)-N-(2-methylphenyl)propanamide
CID 3363731
2-(4,5-dihydro-1H-imidazol-2-yl)-2-ethyl-1-methyl-3H-indole;hydrochloride
CID 13534808
7-Methyl-2-[(2-phenylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17534373
N-(10-phenylspiro[2,4-dihydropyrimido[1,2-a]indole-3,1'-cyclopentane]-10-yl)acetamide;hydrochloride
CID 45259350

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide?
The IUPAC name of N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide (CID 15744779) is N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide.
What is the SMILES notation for N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide?
The canonical SMILES for N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide is CC(=O)NC1(c2ccccc2)C2=NCC(C)(C)CN2c2ccccc21.
What is the InChIKey of N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide?
The InChIKey is MUKCGXCNORDUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15(25)23-21(16-9-5-4-6-10-16)17-11-7-8-12-18(17)24-14-20(2,3)13-22-19(21)24/h4-12H,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide?
N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-10-phenyl-2,4-dihydropyrimido[1,2-a]indol-10-yl)acetamide is sourced from PubChem (CID 15744779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).